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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C15H14N4O3S2 MolecularWeight: 362.42666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=C(SN=C2C)N

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=C(SN=C2C)N

InChI

InChI=1S/C15H14N4O3S2/c1-8-5-10(23-7-16)3-4-11(8)18-12(20)6-22-15(21)13-9(2)19-24-14(13)17/h3-5H,6,17H2,1-2H3,(H,18,20)