2-phenylsulfanylethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: 2-phenylsulfanylethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: 2-phenylsulfanylethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridinyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid 2-(phenylthio)ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCSC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCSC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O4S/c1-19-16-24(20-8-6-10-22(17-20)30(32)33)25(27(2,29-19)21-9-7-13-28-18-21)26(31)34-14-15-35-23-11-4-3-5-12-23/h3-13,16-18,24-25,29H,14-15H2,1-2H3