[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)OC

InChI

InChI=1S/C18H18ClNO5S/c1-23-12-6-11(7-13(8-12)24-2)20-17(21)10-25-18(22)15-9-14(26-3)4-5-16(15)19/h4-9H,10H2,1-3H3,(H,20,21)