ethyl 4,6-diethyl-2-phenyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4,6-diethyl-2-phenyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4,6-diethyl-2-phenyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4,6-diethyl-5-[oxo-(propylthio)methyl]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4,6-diethyl-2-phenyl-5-propylsulfanylcarbonyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4,6-diethyl-2-phenyl-5-(propylthio)carbonyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=C(NC(=C(C1CC)C(=O)OCC)C2=CC=CC=C2)CC

Isomeric SMILES

CCCSC(=O)C1=C(NC(=C(C1CC)C(=O)OCC)C2=CC=CC=C2)CC

InChI

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