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

Systemtic Name: methyl 6-methyl-2-[[4-(phenylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo-[4-(phenylmethyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-benzylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3S/c1-16-8-13-20-21(14-16)30-24(22(20)25(28)29-2)26-23(27)19-11-9-18(10-12-19)15-17-6-4-3-5-7-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,26,27)