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

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3S/c1-3-8-19-17-21-14(10-25-17)16(23)24-9-15(22)20-11(2)12-4-6-13(18)7-5-12/h3-7,10-11H,1,8-9H2,2H3,(H,19,21)(H,20,22)