[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H12BrFN2O3S2 MolecularWeight: 455.321183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H12BrFN2O3S2/c18-10-5-6-12(11(19)7-10)20-15(22)8-24-16(23)9-25-17-21-13-3-1-2-4-14(13)26-17/h1-7H,8-9H2,(H,20,22)