[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C21H28N2O4S/c1-3-23(15-9-5-4-6-10-15)18(25)13-27-21(26)19-16-11-7-8-12-17(16)28-20(19)22-14(2)24/h9H,3-8,10-13H2,1-2H3,(H,22,24)