2-[(3-ethanoylsulfanyl-2-methyl-4-naphthalen-1-yl-4-oxidanylidene-butanoyl)-methyl-amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-4-naphthalen-1-yl-4-oxidanylidene-butanoyl)-methyl-amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-2-methyl-4-(1-naphthyl)-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-4-(1-naphthalenyl)-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methyl-4-naphthalen-1-yl-4-oxobutanoyl)-methylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-2-methyl-4-(1-naphthyl)butanoyl]-methyl-amino]acetic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC2=CC=CC=C21)SC(=O)C)C(=O)N(C)CC(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC=CC2=CC=CC=C21)SC(=O)C)C(=O)N(C)CC(=O)O

InChI

InChI=1S/C20H21NO5S/c1-12(20(26)21(3)11-17(23)24)19(27-13(2)22)18(25)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12,19H,11H2,1-3H3,(H,23,24)