[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

InChI

InChI=1S/C19H18N2O4S2/c1-11-6-7-17(27-11)16(22)9-24-19(23)14-5-4-8-20-18(14)26-10-15-12(2)21-25-13(15)3/h4-8H,9-10H2,1-3H3