[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C18H14BrNO5S MolecularWeight: 436.27646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C18H14BrNO5S/c1-23-15-7-6-11(8-12(15)19)14(21)9-24-17(22)10-26-18-20-13-4-2-3-5-16(13)25-18/h2-8H,9-10H2,1H3