2-chloranyl-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-chloranyl-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-pyridine-4-carboxylic acid Openeye Name: 2-chloro-6-(3-methoxy-3-oxo-propyl)sulfanyl-pyridine-4-carboxylic acid CAS Name: 2-chloro-6-[(3-methoxy-3-oxopropyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-chloro-6-(3-methoxy-3-oxopropyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-chloro-6-[(3-keto-3-methoxy-propyl)thio]isonicotinic acid Formula: C10H10ClNO4S MolecularWeight: 275.7087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=CC(=C1)C(=O)O)Cl

Isomeric SMILES

COC(=O)CCSC1=NC(=CC(=C1)C(=O)O)Cl

InChI

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