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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-ylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C14H12N2O4S2 MolecularWeight: 336.38608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H12N2O4S2/c1-18-13(17)12-9(4-5-22-12)16-14(21)15-8-2-3-10-11(6-8)20-7-19-10/h2-6H,7H2,1H3,(H2,15,16,21)