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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C14H14IN3O3S MolecularWeight: 431.24873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)I)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)I)NC

InChI

InChI=1S/C14H14IN3O3S/c1-8-12(13(16-2)22-18-8)14(20)21-7-11(19)17-10-5-3-4-9(15)6-10/h3-6,16H,7H2,1-2H3,(H,17,19)