6-[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-oxo-2-(4-sec-butylanilino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-(4-butan-2-ylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(4-butan-2-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-keto-2-(4-sec-butylanilino)ethyl]thio]nicotinic acid Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20N2O3S/c1-3-12(2)13-4-7-15(8-5-13)20-16(21)11-24-17-9-6-14(10-19-17)18(22)23/h4-10,12H,3,11H2,1-2H3,(H,20,21)(H,22,23)