methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-4-(2,5-dimethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H21N3O3S2/c1-13-8-9-14(2)15(10-13)16-11-30-21(20(16)22(28)29-3)26-19(27)12-31-23-24-17-6-4-5-7-18(17)25-23/h4-11H,12H2,1-3H3,(H,24,25)(H,26,27)