methyl 2-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonylethanoate

Systemtic Name: methyl 2-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonylethanoate Openeye Name: methyl 2-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonylacetate CAS Name: 2-[(2-mercapto-5-methoxy-2-benzimidazolyl)sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-methoxy-2-sulfanylbenzimidazol-2-yl)sulfonylacetate Traditional Name: 2-(2-mercapto-5-methoxy-benzimidazol-2-yl)sulfonylacetic acid methyl ester Formula: C11H12N2O5S2 MolecularWeight: 316.35338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(N=C2C=C1)(S)S(=O)(=O)CC(=O)OC

Isomeric SMILES

COC1=CC2=NC(N=C2C=C1)(S)S(=O)(=O)CC(=O)OC

InChI

InChI=1S/C11H12N2O5S2/c1-17-7-3-4-8-9(5-7)13-11(19,12-8)20(15,16)6-10(14)18-2/h3-5,19H,6H2,1-2H3