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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3S/c1-3-31-27(30)25-21-15-14-18(2)16-23(21)32-26(25)28-24(29)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,22H,3,14-17H2,1-2H3,(H,28,29)