ethyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC

InChI

InChI=1S/C24H29N3O4S2/c1-5-30-15-8-10-17-18(12-15)26-24(25-17)32-14(4)21(28)27-22-20(23(29)31-6-2)16-9-7-13(3)11-19(16)33-22/h8,10,12-14H,5-7,9,11H2,1-4H3,(H,25,26)(H,27,28)