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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H16N2O4S2/c1-9-5-11(15(19)20-2)14(24-9)18-16(23)17-7-10-3-4-12-13(6-10)22-8-21-12/h3-6H,7-8H2,1-2H3,(H2,17,18,23)