methyl 4-[1-(diethylamino)-2-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylate

Systemtic Name: methyl 4-[1-(diethylamino)-2-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylate Openeye Name: methyl 1-benzyl-4-[1-(diethylcarbamoyl)-1-methylsulfanyl-propyl]-2-oxo-pyridine-3-carboxylate CAS Name: 4-[1-(diethylamino)-2-(methylthio)-1-oxobutan-2-yl]-2-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-[1-(diethylamino)-2-methylsulfanyl-1-oxobutan-2-yl]-2-oxopyridine-3-carboxylate Traditional Name: 1-benzyl-4-[1-(diethylcarbamoyl)-1-(methylthio)propyl]-2-keto-nicotinic acid methyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=O)N(C=C1)CC2=CC=CC=C2)C(=O)OC)(C(=O)N(CC)CC)SC

Isomeric SMILES

CCC(C1=C(C(=O)N(C=C1)CC2=CC=CC=C2)C(=O)OC)(C(=O)N(CC)CC)SC

InChI

InChI=1S/C23H30N2O4S/c1-6-23(30-5,22(28)24(7-2)8-3)18-14-15-25(16-17-12-10-9-11-13-17)20(26)19(18)21(27)29-4/h9-15H,6-8,16H2,1-5H3