methyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-aminophenyl)sulfanyl-2-phenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-aminophenyl)thio]-2-phenyl-acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C25H26N2O3S2/c1-15-8-13-19-20(14-15)32-24(21(19)25(29)30-2)27-23(28)22(16-6-4-3-5-7-16)31-18-11-9-17(26)10-12-18/h3-7,9-12,15,22H,8,13-14,26H2,1-2H3,(H,27,28)