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

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(piperonylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C15H14N2O4S2 MolecularWeight: 350.41266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H14N2O4S2/c1-19-14(18)12-4-5-13(23-12)17-15(22)16-7-9-2-3-10-11(6-9)21-8-20-10/h2-6H,7-8H2,1H3,(H2,16,17,22)