methyl 4-[[4-(4-bromophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(4-bromophenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(4-bromophenyl)sulfanylanilino]-4-oxo-butanoate CAS Name: 4-[4-[(4-bromophenyl)thio]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromophenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-[4-[(4-bromophenyl)thio]anilino]-4-keto-butyric acid methyl ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H16BrNO3S/c1-22-17(21)11-10-16(20)19-13-4-8-15(9-5-13)23-14-6-2-12(18)3-7-14/h2-9H,10-11H2,1H3,(H,19,20)