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

Systemtic Name: methyl 6-(2-methylbutan-2-yl)-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[(1-oxo-2-phenylbutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylbutan-2-yl)-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(2-phenylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)CC)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)CC)C(=O)OC

InChI

InChI=1S/C25H33NO3S/c1-6-18(16-11-9-8-10-12-16)22(27)26-23-21(24(28)29-5)19-14-13-17(15-20(19)30-23)25(3,4)7-2/h8-12,17-18H,6-7,13-15H2,1-5H3,(H,26,27)