methyl 2-(2,2-diphenylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,2-diphenylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2,2-diphenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(1-oxo-2,2-diphenylethyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2,2-diphenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2,2-diphenylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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=C1CCCCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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