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

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H22N2O4S2/c1-2-27-22(26)18-14-17(12-15-6-4-3-5-7-15)31-21(18)25-23(30)24-16-8-9-19-20(13-16)29-11-10-28-19/h3-9,13-14H,2,10-12H2,1H3,(H2,24,25,30)