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

Systemtic Name: [2-[3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[3-(2-furyl)-7-(2-furylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-[7-(2-furfurylidene)-3-(2-furyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-keto-ethyl] ester Formula: C30H31N3O8S MolecularWeight: 593.64744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CO4)C3=N2)C5=CC=CO5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CO4)C3=N2)C5=CC=CO5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C30H31N3O8S/c1-20-9-10-22(18-26(20)42(36,37)32-11-15-38-16-12-32)30(35)41-19-27(34)33-29(25-8-4-14-40-25)24-7-2-5-21(28(24)31-33)17-23-6-3-13-39-23/h3-4,6,8-10,13-14,17-18,24,29H,2,5,7,11-12,15-16,19H2,1H3