2-[2-[2,5-dihydrothiophen-3-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[2-[2,5-dihydrothiophen-3-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 2-[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 2-[[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinic acid Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)O)SCC(=O)N(CC2=CCSC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O)SCC(=O)N(CC2=CCSC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-10-15(2)22-20(19(14)21(25)26)28-13-18(24)23(11-16-8-9-27-12-16)17-6-4-3-5-7-17/h3-8,10H,9,11-13H2,1-2H3,(H,25,26)