(4-bromophenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (4-bromophenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (4-bromophenyl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]acetic acid (4-bromobenzyl) ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-13-2-8-16(9-3-13)20-17(21)11-24-12-18(22)23-10-14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3,(H,20,21)