ethyl 2-(2-ethanoylsulfanylethoxy)-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: ethyl 2-(2-ethanoylsulfanylethoxy)-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: ethyl 2-(2-acetylsulfanylethoxy)-4-(2-benzyloxyphenyl)-2,6-dimethyl-3-nitro-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 2-[2-(acetylthio)ethoxy]-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetylsulfanylethoxy)-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 2-[2-(acetylthio)ethoxy]-4-(2-benzoxyphenyl)-2,6-dimethyl-3-nitro-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Formula: C27H32N2O7S MolecularWeight: 528.61718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])(C)OCCSC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(C(C1C2=CC=CC=C2OCC3=CC=CC=C3)[N+](=O)[O-])(C)OCCSC(=O)C)C

InChI

InChI=1S/C27H32N2O7S/c1-5-34-26(31)23-18(2)28-27(4,36-15-16-37-19(3)30)25(29(32)33)24(23)21-13-9-10-14-22(21)35-17-20-11-7-6-8-12-20/h6-14,24-25,28H,5,15-17H2,1-4H3