ethyl 6-methyl-2-(octanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-(octanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-(octanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-(1-oxooctylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(octanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3S/c1-4-6-7-8-9-10-17(22)21-19-18(20(23)24-5-2)15-12-11-14(3)13-16(15)25-19/h14H,4-13H2,1-3H3,(H,21,22)