2-[[2-ethanoylsulfanylethyl(2-phenoxyethyl)carbamoyl]amino]propanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(2-phenoxyethyl)carbamoyl]amino]propanoate Openeye Name: 2-[[2-acetylsulfanylethyl(2-phenoxyethyl)carbamoyl]amino]propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-(2-phenoxyethyl)amino]-oxomethyl]amino]propanoate IUPAC Name: 2-[[2-acetylsulfanylethyl(2-phenoxyethyl)carbamoyl]amino]propanoate Traditional Name: 2-[[2-(acetylthio)ethyl-(2-phenoxyethyl)carbamoyl]amino]propionate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N(CCOC1=CC=CC=C1)CCSC(=O)C

Isomeric SMILES

CC(C(=O)[O-])NC(=O)N(CCOC1=CC=CC=C1)CCSC(=O)C

InChI

InChI=1S/C16H22N2O5S/c1-12(15(20)21)17-16(22)18(9-11-24-13(2)19)8-10-23-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,22)(H,20,21)/p-1