[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C17H12BrNO4S MolecularWeight: 406.25048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H12BrNO4S/c18-12-5-3-4-11(8-12)14(20)9-22-16(21)10-24-17-19-13-6-1-2-7-15(13)23-17/h1-8H,9-10H2