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

Systemtic Name: propyl 2-(3,3-diphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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