2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 2-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 2-[[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)O)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H24N2O3S/c1-14-10-15(2)24-22(21(14)23(27)28)29-13-20(26)19-11-16(3)25(17(19)4)12-18-8-6-5-7-9-18/h5-11H,12-13H2,1-4H3,(H,27,28)