5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid; pyridine-3-carboxamide

Systemtic Name: 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid; pyridine-3-carboxamide Openeye Name: 5-[(3S)-dithiolan-3-yl]pentanoic acid; pyridine-3-carboxamide CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid; 3-pyridinecarboxamide IUPAC Name: 5-[(3S)-dithiolan-3-yl]pentanoic acid; pyridine-3-carboxamide Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid; nicotinamide Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)O.C1=CC(=CN=C1)C(=O)N

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)O.C1=CC(=CN=C1)C(=O)N

InChI

InChI=1S/C8H14O2S2.C6H6N2O/c9-8(10)4-2-1-3-7-5-6-11-12-7;7-6(9)5-2-1-3-8-4-5/h7H,1-6H2,(H,9,10);1-4H,(H2,7,9)/t7-;/m0./s1