propan-2-yl 2-(3,3-diphenylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(3,3-diphenylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-(3,3-diphenylpropanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[(1-oxo-3,3-diphenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3,3-diphenylpropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C28H31NO3S MolecularWeight: 461.61564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO3S/c1-18(2)32-28(31)26-22-15-14-19(3)16-24(22)33-27(26)29-25(30)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,23H,14-17H2,1-3H3,(H,29,30)