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

Systemtic Name: methyl 2-(3,3-diphenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S/c1-29-25(28)23-19-14-8-9-15-21(19)30-24(23)26-22(27)16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,26,27)