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

Systemtic Name: [2-oxidanylidene-2-[3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-ethylbenzoate Openeye Name: [2-oxo-2-[3-(2-thienyl)-7-(2-thienylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[7-(2-thenylidene)-3-(2-thienyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CS4)C3=N2)C5=CC=CS5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CS4)C3=N2)C5=CC=CS5

InChI

InChI=1S/C27H26N2O3S2/c1-2-18-10-12-19(13-11-18)27(31)32-17-24(30)29-26(23-9-5-15-34-23)22-8-3-6-20(25(22)28-29)16-21-7-4-14-33-21/h4-5,7,9-16,22,26H,2-3,6,8,17H2,1H3