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

Systemtic Name: [2-oxidanylidene-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 3-methoxybenzoate Openeye Name: [2-oxo-2-[3-(2-thienyl)-7-(2-thienylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-keto-2-[7-(2-thenylidene)-3-(2-thienyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CS4)C3=N2)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CS4)C3=N2)C5=CC=CS5

InChI

InChI=1S/C26H24N2O4S2/c1-31-19-8-2-7-18(14-19)26(30)32-16-23(29)28-25(22-11-5-13-34-22)21-10-3-6-17(24(21)27-28)15-20-9-4-12-33-20/h2,4-5,7-9,11-15,21,25H,3,6,10,16H2,1H3