methyl (6R)-6-phenyl-2-(4-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CC[C@H](C2)C3=CC=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO3S/c1-30-26(29)24-21-16-15-20(19-12-6-3-7-13-19)17-22(21)31-25(24)27-23(28)14-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,20H,8,11,14-17H2,1H3,(H,27,28)/t20-/m1/s1