[2-oxidanylidene-2-(phenethylamino)ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-29-15-13-19(24-21(26)18-10-6-3-7-11-18)22(27)28-16-20(25)23-14-12-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,23,25)(H,24,26)