methyl 4-bromanyl-2-[(phenylmethyl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-bromanyl-2-[(phenylmethyl)amino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-(benzylamino)-4-bromo-thiazole-5-carboxylate CAS Name: 4-bromo-2-[(phenylmethyl)amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-4-bromo-1,3-thiazole-5-carboxylate Traditional Name: 2-(benzylamino)-4-bromo-thiazole-5-carboxylic acid methyl ester Formula: C12H11BrN2O2S MolecularWeight: 327.19694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)NCC2=CC=CC=C2)Br

Isomeric SMILES

COC(=O)C1=C(N=C(S1)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C12H11BrN2O2S/c1-17-11(16)9-10(13)15-12(18-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)