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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C18H18BrNO4S/c1-3-25(23)16-7-5-4-6-14(16)18(22)24-11-17(21)20-15-9-8-13(19)10-12(15)2/h4-10H,3,11H2,1-2H3,(H,20,21)