ethyl 2-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)sulfanylethanoate Openeye Name: ethyl 2-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)sulfanylacetate Traditional Name: 2-[(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)thio]acetic acid ethyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C2C(=C1)N(C(=O)N2C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C2C(=C1)N(C(=O)N2C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-4-21-12(17)7-22-11-6-9-8(5-10(11)16(19)20)14(2)13(18)15(9)3/h5-6H,4,7H2,1-3H3