propan-2-yl 2-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: propan-2-yl 2-[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: isopropyl 2-[1-[(2-ethoxyphenyl)carbamoyl]propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[1-(2-ethoxyanilino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[1-(o-phenetylcarbamoyl)propylthio]nicotinic acid isopropyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=C(C=CC=N2)C(=O)OC(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=C(C=CC=N2)C(=O)OC(C)C

InChI

InChI=1S/C21H26N2O4S/c1-5-18(19(24)23-16-11-7-8-12-17(16)26-6-2)28-20-15(10-9-13-22-20)21(25)27-14(3)4/h7-14,18H,5-6H2,1-4H3,(H,23,24)