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

Systemtic Name: methyl 2-(2-ethylbutanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxobutyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylbutanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3S/c1-7-13(8-2)18(23)22-19-17(20(24)25-6)15-11-10-14(12-16(15)26-19)21(4,5)9-3/h13-14H,7-12H2,1-6H3,(H,22,23)