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

Systemtic Name: dimethyl 5-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C19H19N3O5S2/c1-10-14(17(24)26-2)16(29-15(10)18(25)27-3)22-13(23)8-9-28-19-20-11-6-4-5-7-12(11)21-19/h4-7H,8-9H2,1-3H3,(H,20,21)(H,22,23)