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

Systemtic Name: propan-2-yl 2-(3,3-diphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-(3,3-diphenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 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)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO3S/c1-18(2)31-27(30)25-21-15-9-10-16-23(21)32-26(25)28-24(29)17-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,22H,9-10,15-17H2,1-2H3,(H,28,29)