4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid Openeye Name: 4-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid CAS Name: 4-[(2-methoxy-2-oxoethyl)thio]-1,2,3,6-tetrahydropyridine-5-carboxylic acid IUPAC Name: 4-(2-methoxy-2-oxoethyl)sulfanyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid Traditional Name: 4-[(2-keto-2-methoxy-ethyl)thio]-1,2,3,6-tetrahydropyridine-5-carboxylic acid Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(CNCC1)C(=O)O

Isomeric SMILES

COC(=O)CSC1=C(CNCC1)C(=O)O

InChI

InChI=1S/C9H13NO4S/c1-14-8(11)5-15-7-2-3-10-4-6(7)9(12)13/h10H,2-5H2,1H3,(H,12,13)