4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylate IUPAC Name: 4,5-dimethyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4,5-dimethyl-3-thenoate Formula: C16H16NO3S- MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)[O-])NC(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)[O-])NC(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C16H17NO3S/c1-10-11(2)21-15(14(10)16(19)20)17-13(18)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18)(H,19,20)/p-1