[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrNO4S/c1-22-14-5-7-15(8-6-14)24-11-17(21)23-10-16(20)19-13-4-2-3-12(18)9-13/h2-9H,10-11H2,1H3,(H,19,20)