methyl 4-[[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-(3-bromo-4-methylanilino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C18H18BrNO3S/c1-12-3-8-15(9-16(12)19)20-17(21)11-24-10-13-4-6-14(7-5-13)18(22)23-2/h3-9H,10-11H2,1-2H3,(H,20,21)