dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(1,3-benzodioxol-5-ylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C17H16N2O6S2/c1-8-12(15(20)22-2)14(27-13(8)16(21)23-3)19-17(26)18-9-4-5-10-11(6-9)25-7-24-10/h4-6H,7H2,1-3H3,(H2,18,19,26)