[2-oxidanylidene-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] benzoate

Systemtic Name: [2-oxidanylidene-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] benzoate Openeye Name: [2-oxo-2-[3-(2-thienyl)-7-(2-thienylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] benzoate CAS Name: benzoic acid [2-oxo-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester IUPAC Name: [2-oxo-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] benzoate Traditional Name: benzoic acid [2-keto-2-[7-(2-thenylidene)-3-(2-thienyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester Formula: C25H22N2O3S2 MolecularWeight: 462.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)COC(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)COC(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H22N2O3S2/c28-22(16-30-25(29)17-7-2-1-3-8-17)27-24(21-12-6-14-32-21)20-11-4-9-18(23(20)26-27)15-19-10-5-13-31-19/h1-3,5-8,10,12-15,20,24H,4,9,11,16H2