3-[3-ethanoylsulfanyl-4-(4-methoxynaphthalen-1-yl)-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-ethanoylsulfanyl-4-(4-methoxynaphthalen-1-yl)-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-acetylsulfanyl-4-(4-methoxy-1-naphthyl)-4-oxo-butanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[3-(acetylthio)-4-(4-methoxy-1-naphthalenyl)-1,4-dioxobutyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-acetylsulfanyl-4-(4-methoxynaphthalen-1-yl)-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(acetylthio)-4-keto-4-(4-methoxy-1-naphthyl)butanoyl]thiazolidine-4-carboxylic acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CSCC1C(=O)O)C(=O)C2=CC=C(C3=CC=CC=C32)OC

Isomeric SMILES

CC(=O)SC(CC(=O)N1CSCC1C(=O)O)C(=O)C2=CC=C(C3=CC=CC=C32)OC

InChI

InChI=1S/C21H21NO6S2/c1-12(23)30-18(9-19(24)22-11-29-10-16(22)21(26)27)20(25)15-7-8-17(28-2)14-6-4-3-5-13(14)15/h3-8,16,18H,9-11H2,1-2H3,(H,26,27)