diethyl 5-azanyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=C(N2)C=C(C=C3)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=C(N2)C=C(C=C3)C)C(=O)OCC)N

InChI

InChI=1S/C19H21N3O4S2/c1-4-25-17(23)14-11(15(28-16(14)20)18(24)26-5-2)9-27-19-21-12-7-6-10(3)8-13(12)22-19/h6-8H,4-5,9,20H2,1-3H3,(H,21,22)