S-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonyl] ethanethioate

Systemtic Name: S-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonyl] ethanethioate Openeye Name: S-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonyl] ethanethioate CAS Name: ethanethioic acid S-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonyl] ester IUPAC Name: S-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonyl] ethanethioate Traditional Name: ethanethioic acid S-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]sulfonyl] ester Formula: C11H11N3O5S2 MolecularWeight: 329.35214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC

Isomeric SMILES

CC(=O)SS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C11H11N3O5S2/c1-6(15)20-21(17,18)7-3-4-8-9(5-7)13-10(12-8)14-11(16)19-2/h3-5H,1-2H3,(H2,12,13,14,16)