methyl 2-methoxy-4-[2-(2-phenoxyethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 2-methoxy-4-[2-(2-phenoxyethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 2-methoxy-4-[[2-(2-phenoxyethylsulfanyl)acetyl]amino]benzoate CAS Name: 2-methoxy-4-[[1-oxo-2-(2-phenoxyethylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-[[2-(2-phenoxyethylsulfanyl)acetyl]amino]benzoate Traditional Name: 2-methoxy-4-[[2-(2-phenoxyethylthio)acetyl]amino]benzoic acid methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)CSCCOC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)CSCCOC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H21NO5S/c1-23-17-12-14(8-9-16(17)19(22)24-2)20-18(21)13-26-11-10-25-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,21)