ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C#N)C

InChI

InChI=1S/C19H17N3O5S2/c1-3-25-18(24)15-10(2)12(9-20)17(29-15)22-19(28)21-16(23)11-4-5-13-14(8-11)27-7-6-26-13/h4-5,8H,3,6-7H2,1-2H3,(H2,21,22,23,28)