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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2)Br

InChI

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