[2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: [2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C19H17F2NO5S MolecularWeight: 409.403786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C19H17F2NO5S/c20-19(21)26-13-7-6-12(9-14(13)27-19)22-17(23)10-25-18(24)16-8-11-4-2-1-3-5-15(11)28-16/h6-9H,1-5,10H2,(H,22,23)