ethyl 4-[[3-[(3,5-dimethylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridine-2-carboxylate

Systemtic Name: ethyl 4-[[3-[(3,5-dimethylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridine-2-carboxylate Openeye Name: ethyl 4-[[3-[(3,5-dimethylphenyl)carbamoyl]-2-pyridyl]sulfanylmethyl]pyridine-2-carboxylate CAS Name: 4-[[[3-[(3,5-dimethylanilino)-oxomethyl]-2-pyridinyl]thio]methyl]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(3,5-dimethylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridine-2-carboxylate Traditional Name: 4-[[[3-[(3,5-dimethylphenyl)carbamoyl]-2-pyridyl]thio]methyl]picolinic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H23N3O3S/c1-4-29-23(28)20-13-17(7-9-24-20)14-30-22-19(6-5-8-25-22)21(27)26-18-11-15(2)10-16(3)12-18/h5-13H,4,14H2,1-3H3,(H,26,27)