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

Systemtic Name: ethyl 6-tert-butyl-2-(heptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(heptanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-(1-oxoheptylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(heptanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(enanthylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H35NO3S MolecularWeight: 393.5832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C22H35NO3S/c1-6-8-9-10-11-18(24)23-20-19(21(25)26-7-2)16-13-12-15(22(3,4)5)14-17(16)27-20/h15H,6-14H2,1-5H3,(H,23,24)