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

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C13H11Cl2N3O3S MolecularWeight: 360.21574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C13H11Cl2N3O3S/c1-6-11(12(16)22-18-6)13(20)21-5-10(19)17-7-2-3-8(14)9(15)4-7/h2-4H,5,16H2,1H3,(H,17,19)