[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-acetamidobenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-acetamidobenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-15(23)22-17-10-8-16(9-11-17)20(25)26-14-19(24)21-12-5-13-27-18-6-3-2-4-7-18/h2-4,6-11H,5,12-14H2,1H3,(H,21,24)(H,22,23)