[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)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-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)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-furfuryl)amino]-2-keto-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N(CCC#N)CC2=CC=CO2)NC(=O)C)C

InChI

InChI=1S/C19H21N3O5S/c1-12-13(2)28-18(21-14(3)23)17(12)19(25)27-11-16(24)22(8-5-7-20)10-15-6-4-9-26-15/h4,6,9H,5,8,10-11H2,1-3H3,(H,21,23)