1-[4-(4-chloranylnaphthalen-1-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(4-chloranylnaphthalen-1-yl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(4-chloro-1-naphthyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(4-chloro-1-naphthalenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(4-chloronaphthalen-1-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(4-chloro-1-naphthyl)-4-keto-butanoyl]proline Formula: C21H20ClNO5S MolecularWeight: 433.9052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=C(C3=CC=CC=C32)Cl

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=C(C3=CC=CC=C32)Cl

InChI

InChI=1S/C21H20ClNO5S/c1-12(24)29-18(11-19(25)23-10-4-7-17(23)21(27)28)20(26)15-8-9-16(22)14-6-3-2-5-13(14)15/h2-3,5-6,8-9,17-18H,4,7,10-11H2,1H3,(H,27,28)