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

Systemtic Name: 2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Openeye Name: 2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid IUPAC Name: 2-(3-phenylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Traditional Name: 2-(hydrocinnamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S/c21-16(12-11-13-7-3-1-4-8-13)20-18-17(19(22)23)14-9-5-2-6-10-15(14)24-18/h1,3-4,7-8H,2,5-6,9-12H2,(H,20,21)(H,22,23)