2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-cumidino-2-keto-ethyl)thio]nicotinic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C17H18N2O3S/c1-11(2)12-5-7-13(8-6-12)19-15(20)10-23-16-14(17(21)22)4-3-9-18-16/h3-9,11H,10H2,1-2H3,(H,19,20)(H,21,22)