2-(4-acetamidophenoxy)ethyl 5-[2-(2-ethylsulfanylethoxycarbonyl)-4-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-(4-acetamidophenoxy)ethyl 5-[2-(2-ethylsulfanylethoxycarbonyl)-4-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-(4-acetamidophenoxy)ethyl 5-[2-(2-ethylsulfanylethoxycarbonyl)-4-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[2-[2-(ethylthio)ethoxy-oxomethyl]-4-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid 2-(4-acetamidophenoxy)ethyl ester IUPAC Name: 2-(4-acetamidophenoxy)ethyl 5-[2-(2-ethylsulfanylethoxycarbonyl)-4-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-[2-[2-(ethylthio)ethoxycarbonyl]-4-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid 2-(4-acetamidophenoxy)ethyl ester Formula: C29H33N3O8S MolecularWeight: 583.65262

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=C(NC(=C(C2)C(=O)OCCOC3=CC=C(C=C3)NC(=O)C)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C2=C(NC(=C(C2)C(=O)OCCOC3=CC=C(C=C3)NC(=O)C)C)C

InChI

InChI=1S/C29H33N3O8S/c1-5-41-15-14-40-29(35)27-16-22(32(36)37)8-11-24(27)25-17-26(19(3)30-18(25)2)28(34)39-13-12-38-23-9-6-21(7-10-23)31-20(4)33/h6-11,16,30H,5,12-15,17H2,1-4H3,(H,31,33)