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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2O3S/c1-11(2)7-8-19-17-20-14(10-24-17)16(22)23-9-15(21)12-3-5-13(18)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,19,20)