diethyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C22H25N3O5S2/c1-5-25-15-11-9-8-10-14(15)23-22(25)31-12-16(26)24-19-17(20(27)29-6-2)13(4)18(32-19)21(28)30-7-3/h8-11H,5-7,12H2,1-4H3,(H,24,26)