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

Systemtic Name: ethyl 2-[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

Isomeric SMILES

CCCCC1=C(NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

InChI

InChI=1S/C21H29N3O3S2/c1-4-6-10-15-13(3)22-21(23-15)28-12-17(25)24-19-18(20(26)27-5-2)14-9-7-8-11-16(14)29-19/h4-12H2,1-3H3,(H,22,23)(H,24,25)