ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-cyclobutyl-4-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-cyclobutyl-4-ethyl-5-(ethylthio)carbonyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2)C3CCC3)C(=O)SCC

Isomeric SMILES

CCC1C(=C(NC(=C1C(=O)OCC)C2=CC=CC=C2)C3CCC3)C(=O)SCC

InChI

InChI=1S/C23H29NO3S/c1-4-17-18(22(25)27-5-2)20(15-11-8-7-9-12-15)24-21(16-13-10-14-16)19(17)23(26)28-6-3/h7-9,11-12,16-17,24H,4-6,10,13-14H2,1-3H3