2-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(3-anilino-3-oxo-propyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(3-anilino-3-oxopropyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-anilino-3-oxopropyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-anilino-3-keto-propyl)thio]nicotinic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H14N2O3S/c18-13(17-11-5-2-1-3-6-11)8-10-21-14-12(15(19)20)7-4-9-16-14/h1-7,9H,8,10H2,(H,17,18)(H,19,20)