dimethyl 5-azanyl-3-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-methyl-2-benzimidazolyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(1-methylbenzimidazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C17H17N3O4S2/c1-20-11-7-5-4-6-10(11)19-17(20)25-8-9-12(15(21)23-2)14(18)26-13(9)16(22)24-3/h4-7H,8,18H2,1-3H3