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

Systemtic Name: methyl 6-tert-butyl-2-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)SC3=NC=CN3C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)SC3=NC=CN3C

InChI

InChI=1S/C21H29N3O3S2/c1-12(28-20-22-9-10-24(20)5)17(25)23-18-16(19(26)27-6)14-8-7-13(21(2,3)4)11-15(14)29-18/h9-10,12-13H,7-8,11H2,1-6H3,(H,23,25)