propyl 4-(3-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: propyl 4-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: propyl 4-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(phenylthio)propanoylamino]benzoic acid propyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-2-13-23-19(22)15-8-10-16(11-9-15)20-18(21)12-14-24-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,20,21)