(phenylmethyl) 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-ethyl-5-[(ethylthio)-oxomethyl]-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-ethyl-5-(ethylthio)carbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=C1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)SCC

Isomeric SMILES

CCC1C(=C(NC(=C1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)SCC

InChI

InChI=1S/C25H27NO3S/c1-4-20-21(25(28)30-5-2)17(3)26-23(19-14-10-7-11-15-19)22(20)24(27)29-16-18-12-8-6-9-13-18/h6-15,20,26H,4-5,16H2,1-3H3