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

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)NC

InChI

InChI=1S/C16H16N4O3S/c1-9-13(15(18-3)24-20-9)16(22)23-10(2)14(21)19-12-6-4-11(8-17)5-7-12/h4-7,10,18H,1-3H3,(H,19,21)