5-chloranyl-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-(3-methoxy-3-oxo-propyl)sulfanyl-pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[(3-methoxy-3-oxopropyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-(3-methoxy-3-oxopropyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[(3-keto-3-methoxy-propyl)thio]nicotinic acid Formula: C10H10ClNO4S MolecularWeight: 275.7087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=N1)C(=O)O)Cl

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=N1)C(=O)O)Cl

InChI

InChI=1S/C10H10ClNO4S/c1-16-8(13)2-3-17-9-7(11)4-6(5-12-9)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)