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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-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-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 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-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O5S/c1-13(2)24-19(7-8-22-24)23-20(25)12-29-21(26)18-6-5-17(30-18)14-3-4-15-16(11-14)28-10-9-27-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)