O1-[(3,5-dimethylpyridin-2-yl)-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl] O4-nitro butanedioate

Systemtic Name: O1-[(3,5-dimethylpyridin-2-yl)-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl] O4-nitro butanedioate Openeye Name: O1-[(3,5-dimethyl-2-pyridyl)-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl] O4-nitro butanedioate CAS Name: butanedioic acid O1-[(3,5-dimethyl-2-pyridinyl)-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl] ester O4-nitro ester IUPAC Name: 1-O-[(3,5-dimethylpyridin-2-yl)-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl] 4-O-nitro butanedioate Traditional Name: succinic acid O1-[(3,5-dimethyl-2-pyridyl)-[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl] ester O4-nitro ester Formula: C20H20N4O8S MolecularWeight: 476.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)C(OC(=O)CCC(=O)O[N+](=O)[O-])S(=O)C2=NC3=C(N2)C=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(N=C1)C(OC(=O)CCC(=O)O[N+](=O)[O-])S(=O)C2=NC3=C(N2)C=C(C=C3)OC)C

InChI

InChI=1S/C20H20N4O8S/c1-11-8-12(2)18(21-10-11)19(31-16(25)6-7-17(26)32-24(27)28)33(29)20-22-14-5-4-13(30-3)9-15(14)23-20/h4-5,8-10,19H,6-7H2,1-3H3,(H,22,23)