[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(3-bromophenyl)thiazol-4-yl]methyl 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(3-bromophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(3-bromophenyl)thiazol-4-yl]methyl ester Formula: C16H14BrN3O2S2 MolecularWeight: 424.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)Br)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)Br)NC

InChI

InChI=1S/C16H14BrN3O2S2/c1-9-13(15(18-2)24-20-9)16(21)22-7-12-8-23-14(19-12)10-4-3-5-11(17)6-10/h3-6,8,18H,7H2,1-2H3