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

Systemtic Name: ethyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)C(=O)OCC

InChI

InChI=1S/C22H24N2O6S/c1-3-15-11-16(22(27)28-4-2)21(31-15)23-20(26)13-9-19(25)24(12-13)14-5-6-17-18(10-14)30-8-7-29-17/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,23,26)