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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=CC=C2C#N)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC=CC=C2C#N)N

InChI

InChI=1S/C14H12N4O3S/c1-8-12(13(16)22-18-8)14(20)21-7-11(19)17-10-5-3-2-4-9(10)6-15/h2-5H,7,16H2,1H3,(H,17,19)