[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C16H16BrN3O4S MolecularWeight: 426.28494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C16H16BrN3O4S/c1-9(11-3-5-12(17)6-4-11)18-14(22)7-24-15(23)13-8-25-16(20-13)19-10(2)21/h3-6,8-9H,7H2,1-2H3,(H,18,22)(H,19,20,21)