(6R)-6-tert-butyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (6R)-6-tert-butyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6R)-6-tert-butyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[(3-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6R)-6-tert-butyl-2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-(isovalerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C18H26NO3S- MolecularWeight: 336.46894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=C(C2=C(S1)C[C@@H](CC2)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C18H27NO3S/c1-10(2)8-14(20)19-16-15(17(21)22)12-7-6-11(18(3,4)5)9-13(12)23-16/h10-11H,6-9H2,1-5H3,(H,19,20)(H,21,22)/p-1/t11-/m1/s1