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

Systemtic Name: methyl 4-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OC

InChI

InChI=1S/C18H15N3O5S2/c1-9-11(8-19)16(28-14(9)17(23)24-2)21-18(27)20-15(22)10-3-4-12-13(7-10)26-6-5-25-12/h3-4,7H,5-6H2,1-2H3,(H2,20,21,22,27)