methyl 4,5-dimethoxy-2-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(phenylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=CC=CC=C2)OC

InChI

InChI=1S/C18H19NO5S/c1-22-15-9-13(18(21)24-3)14(10-16(15)23-2)19-17(20)11-25-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)