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

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(phenylthiocarbamoylamino)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=C1C2COC3=CC=CC=C3O2)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=S)NC4=CC=CC=C4

InChI

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