propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4,6-diethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid propyl ester IUPAC Name: propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4,6-diethyl-5-(ethylthio)carbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid propyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=C(C1CC)C(=O)SCC)CC)C2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C1=C(NC(=C(C1CC)C(=O)SCC)CC)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO3S/c1-5-14-26-21(24)19-16(6-2)18(22(25)27-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13,16,23H,5-8,14H2,1-4H3