sodium; bicyclo[3.1.0]hexane; 2-[2-[[4-(2,5-dimethoxy-4-methyl-phenyl)-1,3-thiazol-2-yl]-ethyl-carbamoyl]indol-1-yl]ethanoate

Systemtic Name: sodium; bicyclo[3.1.0]hexane; 2-[2-[[4-(2,5-dimethoxy-4-methyl-phenyl)-1,3-thiazol-2-yl]-ethyl-carbamoyl]indol-1-yl]ethanoate Openeye Name: sodium; bicyclo[3.1.0]hexane; 2-[2-[[4-(2,5-dimethoxy-4-methyl-phenyl)thiazol-2-yl]-ethyl-carbamoyl]indol-1-yl]acetate CAS Name: sodium; bicyclo[3.1.0]hexane; 2-[2-[[[4-(2,5-dimethoxy-4-methylphenyl)-2-thiazolyl]-ethylamino]-oxomethyl]-1-indolyl]acetate IUPAC Name: sodium; bicyclo[3.1.0]hexane; 2-[2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indol-1-yl]acetate Traditional Name: sodium; bicyclo[3.1.0]hexane; 2-[2-[[4-(2,5-dimethoxy-4-methyl-phenyl)thiazol-2-yl]-ethyl-carbamoyl]indol-1-yl]acetate Formula: C31H34N3NaO5S MolecularWeight: 583.67353

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)C)OC)C(=O)C3=CC4=CC=CC=C4N3CC(=O)[O-].C1CC2CC2C1.[Na+]

Isomeric SMILES

CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)C)OC)C(=O)C3=CC4=CC=CC=C4N3CC(=O)[O-].C1CC2CC2C1.[Na+]

InChI

InChI=1S/C25H25N3O5S.C6H10.Na/c1-5-27(24(31)20-11-16-8-6-7-9-19(16)28(20)13-23(29)30)25-26-18(14-34-25)17-12-21(32-3)15(2)10-22(17)33-4;1-2-5-4-6(5)3-1;/h6-12,14H,5,13H2,1-4H3,(H,29,30);5-6H,1-4H2;/q;;+1/p-1