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

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C13H11BrN2O3S MolecularWeight: 355.20704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC=C(S2)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC=C(S2)Br

InChI

InChI=1S/C13H11BrN2O3S/c1-8-2-4-9(5-3-8)12(18)19-7-11(17)16-13-15-6-10(14)20-13/h2-6H,7H2,1H3,(H,15,16,17)