[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C16H16BrN3O3S/c1-3-8-18-16-20-13(9-24-16)15(22)23-10(2)14(21)19-12-6-4-11(17)5-7-12/h3-7,9-10H,1,8H2,2H3,(H,18,20)(H,19,21)