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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OC)C4=CC=CC=C4

InChI

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