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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Openeye Name: [2-(2-furylmethylamino)-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-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-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-furfurylamino)-2-keto-ethyl] ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H17NO6S/c22-19(21-11-14-2-1-7-24-14)12-27-20(23)18-6-5-17(28-18)13-3-4-15-16(10-13)26-9-8-25-15/h1-7,10H,8-9,11-12H2,(H,21,22)