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

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C12H9BrClN3O3S MolecularWeight: 390.64016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrClN3O3S/c13-9-4-16-12(21-9)17-10(18)5-20-11(19)6-1-2-7(14)8(15)3-6/h1-4H,5,15H2,(H,16,17,18)