ethyl 3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-(phenylcarbonyl)prop-2-enoate

Systemtic Name: ethyl 3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-(phenylcarbonyl)prop-2-enoate Openeye Name: ethyl 2-benzoyl-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate CAS Name: 2-benzoyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enoate Traditional Name: 2-benzoyl-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)acrylic acid ethyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O5S/c1-2-27-18(24)14(17(23)12-6-4-3-5-7-12)11-21-16-10-13(22(25)26)8-9-15(16)20-19(21)28/h3-11H,2H2,1H3,(H,20,28)