2-ethylsulfanyl-2-methyl-3-pyridin-3-ylcarbonyl-butanedioic acid

Systemtic Name: 2-ethylsulfanyl-2-methyl-3-pyridin-3-ylcarbonyl-butanedioic acid Openeye Name: 2-ethylsulfanyl-2-methyl-3-(pyridine-3-carbonyl)butanedioic acid CAS Name: 2-(ethylthio)-2-methyl-3-[oxo(3-pyridinyl)methyl]butanedioic acid IUPAC Name: 2-ethylsulfanyl-2-methyl-3-(pyridine-3-carbonyl)butanedioic acid Traditional Name: 2-(ethylthio)-2-methyl-3-nicotinoyl-succinic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C(C(=O)C1=CN=CC=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCSC(C)(C(C(=O)C1=CN=CC=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-3-20-13(2,12(18)19)9(11(16)17)10(15)8-5-4-6-14-7-8/h4-7,9H,3H2,1-2H3,(H,16,17)(H,18,19)