[4-(thiophen-2-ylcarbonylamino)phenyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H17N3O4S2/c1-14-12-16(25-29-14)13-31-21-18(4-2-10-23-21)22(27)28-17-8-6-15(7-9-17)24-20(26)19-5-3-11-30-19/h2-12H,13H2,1H3,(H,24,26)