[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] thiophene-3-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] thiophene-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CSC=C2

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CSC=C2

InChI

InChI=1S/C17H16N2O3S/c1-13(22-17(21)14-8-11-23-12-14)16(20)19(10-5-9-18)15-6-3-2-4-7-15/h2-4,6-8,11-13H,5,10H2,1H3