methyl 2-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(2S)-2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C(C)OC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)[C@H](C)OC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H23N3O6S2/c1-5-13-11(3)31-18(16(13)19(25)26-4)21-20(30)23-22-17(24)10(2)29-12-6-7-14-15(8-12)28-9-27-14/h6-8,10H,5,9H2,1-4H3,(H,22,24)(H2,21,23,30)/t10-/m0/s1