[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H15BrFNO3S MolecularWeight: 412.273303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br)F

InChI

InChI=1S/C17H15BrFNO3S/c1-11-2-5-13(8-15(11)19)20-16(21)9-23-17(22)10-24-14-6-3-12(18)4-7-14/h2-8H,9-10H2,1H3,(H,20,21)