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2-[(3-chloro-6-methyl-benzo[b]thiophene-2-carbonyl)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID LsQEt2Hotxd
InChI InChI=1S/C21H20ClNO3S2/c1-3-26-21(25)16-12-6-4-5-7-14(12)28-20(16)23-19(24)18-17(22)13-9-8-11(2)10-15(13)27-18/h8-10H,3-7H2,1-2H3,(H,23,24)
InChIKey XFXRXMYKIGPFHG-UHFFFAOYSA-N
Mol Weight 433.97 g/mol
Molecular Formula C21H20ClNO3S2
Exact Mass 433.057314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3P4owqPBFet
Name 2-[(3-chloro-6-methyl-benzo[b]thiophene-2-carbonyl)-amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester 2-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
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Formula C21H20ClNO3S2
InChI InChI=1S/C21H20ClNO3S2/c1-3-26-21(25)16-12-6-4-5-7-14(12)28-20(16)23-19(24)18-17(22)13-9-8-11(2)10-15(13)27-18/h8-10H,3-7H2,1-2H3,(H,23,24)
InChIKey XFXRXMYKIGPFHG-UHFFFAOYSA-N
Molecular Weight 433.968 g/mol
SMILES N(C(=O)c1sc2cc(ccc2c1Cl)C)c1sc2CCCCc2c1C(OCC)=O
SPLASH splash10-0a59-2591400000-274515225721caa77c54
Wiley ID 1438322