methyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H19N3O6S2/c1-9-10(2)29-16(15(9)17(23)24-3)19-18(28)21-20-14(22)7-25-11-4-5-12-13(6-11)27-8-26-12/h4-6H,7-8H2,1-3H3,(H,20,22)(H2,19,21,28)