1-(4-ethoxycarbonyl-2-methyl-octanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-ethoxycarbonyl-2-methyl-octanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-ethoxycarbonyl-2-methyl-octanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-(4-ethoxycarbonyl-2-methyl-1-oxooctyl)-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-ethoxycarbonyl-2-methyloctanoyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-(4-carbethoxy-2-methyl-octanoyl)-4-(phenylthio)proline Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)C(=O)N1CC(CC1C(=O)O)SC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC(CC(C)C(=O)N1CC(CC1C(=O)O)SC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H33NO5S/c1-4-6-10-17(23(28)29-5-2)13-16(3)21(25)24-15-19(14-20(24)22(26)27)30-18-11-8-7-9-12-18/h7-9,11-12,16-17,19-20H,4-6,10,13-15H2,1-3H3,(H,26,27)