[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H16N2O5S/c19-6-1-7-20-17(21)11-25-18(22)16-5-4-15(26-16)12-2-3-13-14(10-12)24-9-8-23-13/h2-5,10H,1,7-9,11H2,(H,20,21)