diethyl 3-methyl-5-[2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(2-benzylsulfanylbenzimidazol-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2-benzylsulfanylbenzimidazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[2-(benzylthio)benzimidazol-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H27N3O5S2 MolecularWeight: 537.65038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5S2/c1-4-34-25(32)22-17(3)23(26(33)35-5-2)37-24(22)29-21(31)15-30-20-14-10-9-13-19(20)28-27(30)36-16-18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3,(H,29,31)