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

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H21NO5S/c1-3-14-8-10-15(11-9-14)16-13-30-22(20(16)23(26)27-2)24-21(25)19-12-28-17-6-4-5-7-18(17)29-19/h4-11,13,19H,3,12H2,1-2H3,(H,24,25)