(phenylmethyl) 2-methyl-4-oxidanylidene-5-(1-phenylsulfanylhexyl)-2,3-dihydropyridine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-4-oxidanylidene-5-(1-phenylsulfanylhexyl)-2,3-dihydropyridine-1-carboxylate Openeye Name: benzyl 2-methyl-4-oxo-5-(1-phenylsulfanylhexyl)-2,3-dihydropyridine-1-carboxylate CAS Name: 2-methyl-4-oxo-5-[1-(phenylthio)hexyl]-2,3-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-4-oxo-5-(1-phenylsulfanylhexyl)-2,3-dihydropyridine-1-carboxylate Traditional Name: 4-keto-2-methyl-5-[1-(phenylthio)hexyl]-2,3-dihydropyridine-1-carboxylic acid benzyl ester Formula: C26H31NO3S MolecularWeight: 437.59424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CN(C(CC1=O)C)C(=O)OCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C1=CN(C(CC1=O)C)C(=O)OCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H31NO3S/c1-3-4-7-16-25(31-22-14-10-6-11-15-22)23-18-27(20(2)17-24(23)28)26(29)30-19-21-12-8-5-9-13-21/h5-6,8-15,18,20,25H,3-4,7,16-17,19H2,1-2H3