methyl 3-chloranyl-6-[[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-indan-5-yloxypropanoylamino)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[2-(2,3-dihydro-1H-inden-5-yloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-indan-5-yloxypropanoylamino)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H22ClN3O4S2 MolecularWeight: 504.02148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)OC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)OC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H22ClN3O4S2/c1-12(31-16-8-6-13-4-3-5-14(13)10-16)21(28)26-27-23(32)25-15-7-9-17-18(11-15)33-20(19(17)24)22(29)30-2/h6-12H,3-5H2,1-2H3,(H,26,28)(H2,25,27,32)