ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-methyl-thiophen-3-yl]benzoate

Systemtic Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-4-methyl-thiophen-3-yl]benzoate Openeye Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-methyl-3-thienyl]benzoate CAS Name: 4-[2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-4-methyl-3-thiophenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-4-methylthiophen-3-yl]benzoate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-4-methyl-3-thienyl]benzoic acid ethyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C(SC=C2C)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C(SC=C2C)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H21NO5S/c1-3-27-23(26)16-10-8-15(9-11-16)20-14(2)13-30-22(20)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)