2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 1-benzothiophene-5-carboxylate

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 1-benzothiophene-5-carboxylate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl benzothiophene-5-carboxylate CAS Name: 1-benzothiophene-5-carboxylic acid 2-[[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 1-benzothiophene-5-carboxylate Traditional Name: benzothiophene-5-carboxylic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl ester Formula: C21H19FN2O2S2 MolecularWeight: 414.516163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1NC(=S)NCCOC(=O)C3=CC4=C(C=C3)SC=C4)C=CC=C2F

Isomeric SMILES

C1CC2=C(C1NC(=S)NCCOC(=O)C3=CC4=C(C=C3)SC=C4)C=CC=C2F

InChI

InChI=1S/C21H19FN2O2S2/c22-17-3-1-2-16-15(17)5-6-18(16)24-21(27)23-9-10-26-20(25)14-4-7-19-13(12-14)8-11-28-19/h1-4,7-8,11-12,18H,5-6,9-10H2,(H2,23,24,27)