1-sulfanylethyl 1-(1-ethoxy-1-oxidanylidene-butan-2-yl)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate

Systemtic Name: 1-sulfanylethyl 1-(1-ethoxy-1-oxidanylidene-butan-2-yl)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate Openeye Name: 1-sulfanylethyl 4-(2-benzyloxyphenyl)-1-(1-ethoxycarbonylpropyl)-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylate CAS Name: 1-(1-ethoxy-1-oxobutan-2-yl)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylic acid 1-mercaptoethyl ester IUPAC Name: 1-sulfanylethyl 1-(1-ethoxy-1-oxobutan-2-yl)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-1-(1-carbethoxypropyl)-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid 1-mercaptoethyl ester Formula: C29H34N2O7S MolecularWeight: 554.65446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C(=C(C(C(=C1C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OC(C)S)C

Isomeric SMILES

CCC(C(=O)OCC)N1C(=C(C(C(=C1C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OC(C)S)C

InChI

InChI=1S/C29H34N2O7S/c1-6-23(28(32)36-7-2)30-18(3)25(29(33)38-20(5)39)26(27(19(30)4)31(34)35)22-15-11-12-16-24(22)37-17-21-13-9-8-10-14-21/h8-16,20,23,26,39H,6-7,17H2,1-5H3