ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H20N2O4S2/c1-2-26-21(25)16-13-19(14-6-4-3-5-7-14)30-20(16)24-22(29)23-15-8-9-17-18(12-15)28-11-10-27-17/h3-9,12-13H,2,10-11H2,1H3,(H2,23,24,29)