ethyl 2-[2-(2-methylsulfanylbenzimidazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-methylsulfanylbenzimidazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-(methylthio)-1-benzimidazolyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methylsulfanylbenzimidazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[2-(methylthio)benzimidazol-1-yl]acetyl]amino]-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)CN3C4=CC=CC=C4N=C3SC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4N=C3SC

InChI

InChI=1S/C21H23N3O3S2/c1-3-27-20(26)18-13-8-4-7-11-16(13)29-19(18)23-17(25)12-24-15-10-6-5-9-14(15)22-21(24)28-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,23,25)