ethyl 6-tert-butyl-2-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[2-[(1-methylimidazol-2-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)SC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)SC3=NC=CN3C

InChI

InChI=1S/C22H31N3O3S2/c1-7-28-20(27)17-15-9-8-14(22(3,4)5)12-16(15)30-19(17)24-18(26)13(2)29-21-23-10-11-25(21)6/h10-11,13-14H,7-9,12H2,1-6H3,(H,24,26)