methyl 2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-4-(phenylthio)butyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoate Traditional Name: 2-methoxy-5-[[4-(phenylthio)butanoylamino]methyl]benzoic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCSC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H23NO4S/c1-24-18-11-10-15(13-17(18)20(23)25-2)14-21-19(22)9-6-12-26-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,22)