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

Systemtic Name: diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[(1R,2R)-2-(4-nitrophenyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[(1R,2R)-2-(4-nitrophenyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[3-(methylthio)phenyl]-6-[(1R,2R)-2-(4-nitrophenyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[(1R,2R)-2-(4-nitrophenyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[3-(methylthio)phenyl]-6-[(1R,2R)-2-(4-nitrophenyl)cyclopropyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H30N2O6S MolecularWeight: 522.6126

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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=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O6S/c1-5-35-27(31)23-16(3)29-26(22-15-21(22)17-10-12-19(13-11-17)30(33)34)25(28(32)36-6-2)24(23)18-8-7-9-20(14-18)37-4/h7-14,21-22,24,29H,5-6,15H2,1-4H3/t21-,22+,24?/m0/s1