methyl 4-chloranyl-3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-chloro-3-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-chloro-3-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)SC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)SC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H20ClNO5S/c1-11(27-13-6-8-16(24-2)17(10-13)25-3)18(22)21-15-9-12(19(23)26-4)5-7-14(15)20/h5-11H,1-4H3,(H,21,22)