propyl 2-(3-chlorophenyl)-4,6-diethyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propyl 2-(3-chlorophenyl)-4,6-diethyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Openeye Name: propyl 2-(3-chlorophenyl)-4,6-diethyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(3-chlorophenyl)-4,6-diethyl-5-[oxo-(propylthio)methyl]-1,4-dihydropyridine-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(3-chlorophenyl)-4,6-diethyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(3-chlorophenyl)-4,6-diethyl-5-(propylthio)carbonyl-1,4-dihydropyridine-3-carboxylic acid propyl ester Formula: C23H30ClNO3S MolecularWeight: 436.0072

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=C(C1CC)C(=O)SCCC)CC)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCOC(=O)C1=C(NC(=C(C1CC)C(=O)SCCC)CC)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C23H30ClNO3S/c1-5-12-28-22(26)20-17(7-3)19(23(27)29-13-6-2)18(8-4)25-21(20)15-10-9-11-16(24)14-15/h9-11,14,17,25H,5-8,12-13H2,1-4H3