ethyl 5-methyl-2-[[4-(phenylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[4-(phenylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzylbenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 5-methyl-2-[[oxo-[4-(phenylmethyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylbenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-benzylbenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO3S/c1-3-30-26(29)23-21-15-17(2)9-14-22(21)31-25(23)27-24(28)20-12-10-19(11-13-20)16-18-7-5-4-6-8-18/h4-8,10-13,17H,3,9,14-16H2,1-2H3,(H,27,28)