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

Systemtic Name: 1-sulfanylethyl 1-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate Openeye Name: 1-sulfanylethyl 4-(2-benzyloxyphenyl)-1-(2-ethoxy-1-methyl-2-oxo-ethyl)-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylate CAS Name: 1-(1-ethoxy-1-oxopropan-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-oxopropan-2-yl)-2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-4H-pyridine-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-1-(2-ethoxy-2-keto-1-methyl-ethyl)-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid 1-mercaptoethyl ester Formula: C28H32N2O7S MolecularWeight: 540.62788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O7S/c1-6-35-27(31)19(4)29-17(2)24(28(32)37-20(5)38)25(26(18(29)3)30(33)34)22-14-10-11-15-23(22)36-16-21-12-8-7-9-13-21/h7-15,19-20,25,38H,6,16H2,1-5H3