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

Systemtic Name: ethyl 2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C22H25N3O4S2/c1-3-28-13-9-10-15-16(11-13)24-22(23-15)30-12-18(26)25-20-19(21(27)29-4-2)14-7-5-6-8-17(14)31-20/h9-11H,3-8,12H2,1-2H3,(H,23,24)(H,25,26)