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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2O4S2/c1-13-16(14(2)26-22-13)12-28-19-15(6-3-9-21-19)20(24)25-10-4-7-17(23)18-8-5-11-27-18/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3