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

Systemtic Name: propyl 2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-2-15-26-22(25)20-17-11-7-4-8-12-18(17)27-21(20)23-19(24)14-13-16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3,(H,23,24)