methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H17NO5S/c1-25-21(24)19-15(12-18(28-19)13-5-3-2-4-6-13)22-20(23)14-7-8-16-17(11-14)27-10-9-26-16/h2-8,11-12H,9-10H2,1H3,(H,22,23)