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

Systemtic Name: 1-[4-(1-benzothiophen-2-yl)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(benzothiophen-2-yl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(1-benzothiophen-2-yl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(1-benzothiophen-2-yl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(benzothiophen-2-yl)-4-keto-2-methyl-butanoyl]proline Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC2=CC=CC=C2S1)SC(=O)C)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC2=CC=CC=C2S1)SC(=O)C)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C20H21NO5S2/c1-11(19(24)21-9-5-7-14(21)20(25)26)18(27-12(2)22)17(23)16-10-13-6-3-4-8-15(13)28-16/h3-4,6,8,10-11,14,18H,5,7,9H2,1-2H3,(H,25,26)