methyl 3-chloranyl-6-[[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-yl]carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[[5-(indan-5-yloxymethyl)furan-2-carbonyl]amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-furanyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[[5-(indan-5-yloxymethyl)-2-furoyl]amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H22ClN3O5S2 MolecularWeight: 556.05298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(O3)COC4=CC5=C(CCC5)C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(O3)COC4=CC5=C(CCC5)C=C4)Cl

InChI

InChI=1S/C26H22ClN3O5S2/c1-33-25(32)23-22(27)19-9-6-16(12-21(19)37-23)28-26(36)30-29-24(31)20-10-8-18(35-20)13-34-17-7-5-14-3-2-4-15(14)11-17/h5-12H,2-4,13H2,1H3,(H,29,31)(H2,28,30,36)