methyl (E)-2-diethoxyphosphoryl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-diethoxyphosphoryl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enoate Openeye Name: methyl (E)-2-diethoxyphosphoryl-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate CAS Name: (E)-2-diethoxyphosphoryl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-diethoxyphosphoryl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enoate Traditional Name: (E)-2-diethoxyphosphoryl-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)acrylic acid methyl ester Formula: C15H18N3O7PS MolecularWeight: 415.358081

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C/N1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)/C(=O)OC)OCC

InChI

InChI=1S/C15H18N3O7PS/c1-4-24-26(22,25-5-2)13(14(19)23-3)9-17-12-8-10(18(20)21)6-7-11(12)16-15(17)27/h6-9H,4-5H2,1-3H3,(H,16,27)/b13-9+