2-(ethanoylsulfanylmethyl)-4-[(4-methoxyphenyl)methoxycarbonyl-methyl-amino]butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-4-[(4-methoxyphenyl)methoxycarbonyl-methyl-amino]butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-[(4-methoxyphenyl)methoxycarbonyl-methyl-amino]butanoic acid CAS Name: 2-[(acetylthio)methyl]-4-[[(4-methoxyphenyl)methoxy-oxomethyl]-methylamino]butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-[(4-methoxyphenyl)methoxycarbonyl-methylamino]butanoic acid Traditional Name: 2-[(acetylthio)methyl]-4-[methyl(p-anisyloxycarbonyl)amino]butyric acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCN(C)C(=O)OCC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(=O)SCC(CCN(C)C(=O)OCC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C17H23NO6S/c1-12(19)25-11-14(16(20)21)8-9-18(2)17(22)24-10-13-4-6-15(23-3)7-5-13/h4-7,14H,8-11H2,1-3H3,(H,20,21)