[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C22H23N3O6S MolecularWeight: 457.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)NC(=O)C)C

InChI

InChI=1S/C22H23N3O6S/c1-13-14(2)32-21(24-15(3)26)20(13)22(28)31-12-19(27)25(8-4-7-23)16-5-6-17-18(11-16)30-10-9-29-17/h5-6,11H,4,8-10,12H2,1-3H3,(H,24,26)