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

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-phenyl-2-[3-(p-tolylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-phenyl-2-[3-(p-tolylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H27NO3S2 MolecularWeight: 465.62748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H27NO3S2/c1-17-8-11-20(12-9-17)31-15-14-23(28)27-25-24(26(29)30-2)21-13-10-19(16-22(21)32-25)18-6-4-3-5-7-18/h3-9,11-12,19H,10,13-16H2,1-2H3,(H,27,28)