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

Systemtic Name: ethyl 6-tert-butyl-2-(decanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(decanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-(1-oxodecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(decanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(caprylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H41NO3S MolecularWeight: 435.66294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO3S/c1-6-8-9-10-11-12-13-14-21(27)26-23-22(24(28)29-7-2)19-16-15-18(25(3,4)5)17-20(19)30-23/h18H,6-17H2,1-5H3,(H,26,27)