diethyl 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(1H-benzimidazol-2-ylthio)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H23N3O5S2/c1-4-28-19(26)16-12(3)17(20(27)29-5-2)31-18(16)24-15(25)10-11-30-21-22-13-8-6-7-9-14(13)23-21/h6-9H,4-5,10-11H2,1-3H3,(H,22,23)(H,24,25)