[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)NC

InChI

InChI=1S/C18H20N4O3S/c1-12-15(16(20-3)26-21-12)18(24)25-13(2)17(23)22(11-7-10-19)14-8-5-4-6-9-14/h4-6,8-9,13,20H,7,11H2,1-3H3