methyl 6-(2-methylbutan-2-yl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-(2-methylbutan-2-yl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylbutan-2-yl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C(=O)OC

InChI

InChI=1S/C18H27NO3S/c1-6-14(20)19-16-15(17(21)22-5)12-9-8-11(10-13(12)23-16)18(3,4)7-2/h11H,6-10H2,1-5H3,(H,19,20)