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

Systemtic Name: methyl 2-[2-(2-methylsulfanylbenzimidazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-26-19(25)17-12-7-3-6-10-15(12)28-18(17)22-16(24)11-23-14-9-5-4-8-13(14)21-20(23)27-2/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,22,24)