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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmqpOUk7gW
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.122356163 u
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 C=1C=C2C(=CN(CC3=CC=CC=C3Cl)C2=CC1)C(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(OCC)=O