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S-[2-(2-methylpyrrolidin-1-yl)ethyl] 2-cyclopent-2-en-1-ylpentanethioate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

S-[2-(2-methylpyrrolidin-1-yl)ethyl] 2-cyclopent-2-en-1-ylpentanethioate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name:S-[2-(2-methylpyrrolidin-1-yl)ethyl] 2-cyclopent-2-en-1-ylpentanethioate; 2-oxidanylpropane-1,2,3-tricarboxylic acid
Openeye Name:citric acid; S-[2-(2-methylpyrrolidin-1-yl)ethyl] 2-cyclopent-2-en-1-ylpentanethioate
CAS Name:2-(1-cyclopent-2-enyl)pentanethioic acid S-[2-(2-methyl-1-pyrrolidinyl)ethyl] ester; 2-hydroxypropane-1,2,3-tricarboxylic acid
IUPAC Name:2-hydroxypropane-1,2,3-tricarboxylic acid; S-[2-(2-methylpyrrolidin-1-yl)ethyl] 2-cyclopent-2-en-1-ylpentanethioate
Traditional Name:citric acid; 2-cyclopent-2-en-1-ylpentanethioic acid S-[2-(2-methylpyrrolidino)ethyl] ester
Formula: C23H37NO8S
MolecularWeight: 487.60678
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCC=C1)C(=O)SCCN2CCCC2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O


Isomeric SMILES

CCCC(C1CCC=C1)C(=O)SCCN2CCCC2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O


InChI

InChI=1S/C17H29NOS.C6H8O7/c1-3-7-16(15-9-4-5-10-15)17(19)20-13-12-18-11-6-8-14(18)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,9,14-16H,3,5-8,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


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