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

Systemtic Name: ethyl 6-methyl-2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C22H25N3O3S2/c1-4-28-21(27)19-14-7-5-13(3)10-17(14)30-20(19)25-18(26)11-29-22-23-15-8-6-12(2)9-16(15)24-22/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,23,24)(H,25,26)