2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-2-phenyl-ethanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-2-phenyl-ethanoate Openeye Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-2-phenyl-acetate CAS Name: 2-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]-2-phenylacetate IUPAC Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-2-phenylacetate Traditional Name: 2-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]-2-phenyl-acetate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-16(24)28-15-14-23(13-12-17-8-4-2-5-9-17)21(27)22-19(20(25)26)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,27)(H,25,26)/p-1