[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)N

InChI

InChI=1S/C16H16N4O3S/c1-11-14(15(18)24-19-11)16(22)23-10-13(21)20(9-5-8-17)12-6-3-2-4-7-12/h2-4,6-7H,5,9-10,18H2,1H3