[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-oxidanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-oxidanylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C18H17NO5S MolecularWeight: 359.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H17NO5S/c20-14-8-6-13(7-9-14)18(23)24-12-17(22)19-16(21)10-11-25-15-4-2-1-3-5-15/h1-9,20H,10-12H2,(H,19,21,22)