methyl 4-cyano-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[(1-oxo-3-phenylpropyl)amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-5-(hydrocinnamoylamino)-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H16N2O3S/c1-11-13(10-18)16(23-15(11)17(21)22-2)19-14(20)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,19,20)