[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C13H8BrN3O3S MolecularWeight: 366.18992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NC2=NC=C(S2)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC(=O)NC2=NC=C(S2)Br

InChI

InChI=1S/C13H8BrN3O3S/c14-10-6-16-13(21-10)17-11(18)7-20-12(19)9-3-1-8(5-15)2-4-9/h1-4,6H,7H2,(H,16,17,18)