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

Systemtic Name: methyl 6-(2-methylbutan-2-yl)-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-(pentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-(1-oxopentylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylbutan-2-yl)-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(valerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3S/c1-6-8-9-16(22)21-18-17(19(23)24-5)14-11-10-13(12-15(14)25-18)20(3,4)7-2/h13H,6-12H2,1-5H3,(H,21,22)