ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-5-methyl-4-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(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O4S2/c1-3-26-21(25)19-18(14-7-5-4-6-8-14)13(2)30-20(19)24-22(29)23-15-9-10-16-17(11-15)28-12-27-16/h4-11H,3,12H2,1-2H3,(H2,23,24,29)