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

Systemtic Name: ethyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(1H-benzimidazol-2-ylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O3S2/c1-2-27-20(26)18-13-7-3-6-10-16(13)29-19(18)24-17(25)11-12-28-21-22-14-8-4-5-9-15(14)23-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,22,23)(H,24,25)