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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C15H16BrN3O3S MolecularWeight: 398.27484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=C(SN=C2C)NC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=C(SN=C2C)NC

InChI

InChI=1S/C15H16BrN3O3S/c1-8-6-10(16)4-5-11(8)18-12(20)7-22-15(21)13-9(2)19-23-14(13)17-3/h4-6,17H,7H2,1-3H3,(H,18,20)