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

Systemtic Name: propan-2-yl 2-(2-ethylhexanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-(2-ethylhexanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-ethylhexanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC(C)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC(C)C

InChI

InChI=1S/C21H33NO3S/c1-6-8-9-15(7-2)19(23)22-20-18(21(24)25-13(3)4)16-11-10-14(5)12-17(16)26-20/h13-15H,6-12H2,1-5H3,(H,22,23)