[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NCCCSC1=CC=CC=C1)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NCCCSC1=CC=CC=C1)C2=CC=CS2

InChI

InChI=1S/C20H24N2O4S2/c1-15(23)22-17(18-9-5-11-28-18)13-20(25)26-14-19(24)21-10-6-12-27-16-7-3-2-4-8-16/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,21,24)(H,22,23)