diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[(1R,2R)-2-pyridin-3-ylcyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[(1R,2R)-2-pyridin-3-ylcyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[(1R,2R)-2-(3-pyridyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[3-(methylthio)phenyl]-6-[(1R,2R)-2-(3-pyridinyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[(1R,2R)-2-pyridin-3-ylcyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[3-(methylthio)phenyl]-6-[(1R,2R)-2-(3-pyridyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OCC)C3CC3C4=CN=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OCC)[C@@H]3C[C@H]3C4=CN=CC=C4)C

InChI

InChI=1S/C27H30N2O4S/c1-5-32-26(30)22-16(3)29-25(21-14-20(21)18-10-8-12-28-15-18)24(27(31)33-6-2)23(22)17-9-7-11-19(13-17)34-4/h7-13,15,20-21,23,29H,5-6,14H2,1-4H3/t20-,21+,23?/m0/s1