ethyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H19NO5S/c1-2-26-22(25)20-15(12-19(29-20)14-8-4-3-5-9-14)23-21(24)18-13-27-16-10-6-7-11-17(16)28-18/h3-12,18H,2,13H2,1H3,(H,23,24)