[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C19H12BrN3O3S MolecularWeight: 442.28588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CSC(=N2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H12BrN3O3S/c20-15-3-1-2-14(8-15)16-11-27-19(22-16)23-17(24)10-26-18(25)13-6-4-12(9-21)5-7-13/h1-8,11H,10H2,(H,22,23,24)