ethyl 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thiophene-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thiophene-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thiophene-3-carboxylic acid ethyl ester Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2COC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2COC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O5S2/c1-2-28-22(27)15-12-19(18-13-29-16-10-6-7-11-17(16)30-18)32-21(15)25-23(31)24-20(26)14-8-4-3-5-9-14/h3-12,18H,2,13H2,1H3,(H2,24,25,26,31)