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1-Benzothiophene-3-carboxylic acid, 2-[[2-[1-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Benzothiophene-3-carboxylic acid, 2-[[2-[1-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID I6ibnURTtKo
InChI InChI=1S/C28H25ClN2O4S/c1-2-35-28(34)24-19-11-5-8-14-23(19)36-27(24)30-26(33)25(32)20-16-31(22-13-7-4-10-18(20)22)15-17-9-3-6-12-21(17)29/h3-4,6-7,9-10,12-13,16H,2,5,8,11,14-15H2,1H3,(H,30,33)
InChIKey YDOMAWFYSUQTQP-UHFFFAOYSA-N
Mol Weight 521.03 g/mol
Molecular Formula C28H25ClN2O4S
Exact Mass 520.122356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zjijtEfdA
Name 1-Benzothiophene-3-carboxylic acid, 2-[[2-[1-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
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Formula C28H25ClN2O4S
InChI InChI=1S/C28H25ClN2O4S/c1-2-35-28(34)24-19-11-5-8-14-23(19)36-27(24)30-26(33)25(32)20-16-31(22-13-7-4-10-18(20)22)15-17-9-3-6-12-21(17)29/h3-4,6-7,9-10,12-13,16H,2,5,8,11,14-15H2,1H3,(H,30,33)
InChIKey YDOMAWFYSUQTQP-UHFFFAOYSA-N
Molecular Weight 521.031 g/mol
SMILES N(C(C(=O)c1c[n](Cc2ccccc2Cl)c2c1cccc2)=O)c1c(c2c(s1)CCCC2)C(OCC)=O
SPLASH splash10-00or-3980000000-71aea318a1c453f95613
Source of Spectrum IY-2-5036-5
Synonyms Ethyl 2-(2-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-oxoacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 2-[[2-[1-[(2-chlorophenyl)methyl]-3-indolyl]-1,2-dioxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-oxo-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[[2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-2-oxidanylidene-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1658348