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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H16N2O4S2/c1-3-10-7-11(15(19)20-2)14(24-10)18-16(23)17-9-4-5-12-13(6-9)22-8-21-12/h4-7H,3,8H2,1-2H3,(H2,17,18,23)