1-[5-(1-benzothiophen-3-yl)-2,3-diethyl-3-methanoylsulfanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-(1-benzothiophen-3-yl)-2,3-diethyl-3-methanoylsulfanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(benzothiophen-3-yl)-2,3-diethyl-3-formylsulfanyl-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-(1-benzothiophen-3-yl)-2,3-diethyl-3-(formylthio)-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(1-benzothiophen-3-yl)-2,3-diethyl-3-formylsulfanyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-(benzothiophen-3-yl)-2,3-diethyl-3-(formylthio)-5-keto-pentanoyl]proline Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1C(=O)O)C(CC)(CC(=O)C2=CSC3=CC=CC=C32)SC=O

Isomeric SMILES

CCC(C(=O)N1CCCC1C(=O)O)C(CC)(CC(=O)C2=CSC3=CC=CC=C32)SC=O

InChI

InChI=1S/C23H27NO5S2/c1-3-17(21(27)24-11-7-9-18(24)22(28)29)23(4-2,31-14-25)12-19(26)16-13-30-20-10-6-5-8-15(16)20/h5-6,8,10,13-14,17-18H,3-4,7,9,11-12H2,1-2H3,(H,28,29)