2-azanyl-2-(ethanoylsulfanylmethyl)-3-(4-hydroxyphenyl)-4-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-2-(ethanoylsulfanylmethyl)-3-(4-hydroxyphenyl)-4-oxidanylidene-heptanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-2-amino-3-(4-hydroxyphenyl)-4-oxo-heptanoic acid CAS Name: 2-[(acetylthio)methyl]-2-amino-3-(4-hydroxyphenyl)-4-oxoheptanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-2-amino-3-(4-hydroxyphenyl)-4-oxoheptanoic acid Traditional Name: 2-[(acetylthio)methyl]-2-amino-3-(4-hydroxyphenyl)-4-keto-enanthic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1=CC=C(C=C1)O)C(CSC(=O)C)(C(=O)O)N

Isomeric SMILES

CCCC(=O)C(C1=CC=C(C=C1)O)C(CSC(=O)C)(C(=O)O)N

InChI

InChI=1S/C16H21NO5S/c1-3-4-13(20)14(11-5-7-12(19)8-6-11)16(17,15(21)22)9-23-10(2)18/h5-8,14,19H,3-4,9,17H2,1-2H3,(H,21,22)