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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)COC(=O)C2=CSC(=N2)NCC=C

InChI

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