ethyl 2-[[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyloxy-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyloxy-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxy-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethoxy]-1-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxy-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxy-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C35H34N2O7S2 MolecularWeight: 658.78366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C35H34N2O7S2/c1-2-43-35(40)30-28-14-8-9-15-29(28)45-33(30)36-32(38)31(24-11-4-3-5-12-24)44-34(39)25-16-18-27(19-17-25)46(41,42)37-21-20-23-10-6-7-13-26(23)22-37/h3-7,10-13,16-19,31H,2,8-9,14-15,20-22H2,1H3,(H,36,38)