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

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC=C2C)Br

InChI

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