sodium 9-fluoranyl-3-(1,3-thiazol-2-yl)-5,6-dihydrobenzo[c]acridine-7-carboxylate

Systemtic Name: sodium 9-fluoranyl-3-(1,3-thiazol-2-yl)-5,6-dihydrobenzo[c]acridine-7-carboxylate Openeye Name: sodium 9-fluoro-3-thiazol-2-yl-5,6-dihydrobenzo[c]acridine-7-carboxylate CAS Name: sodium 9-fluoro-3-(2-thiazolyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate IUPAC Name: sodium 9-fluoro-3-(1,3-thiazol-2-yl)-5,6-dihydrobenzo[c]acridine-7-carboxylate Traditional Name: sodium 9-fluoro-3-thiazol-2-yl-5,6-dihydrobenz[c]acridine-7-carboxylate Formula: C21H12FN2NaO2S MolecularWeight: 398.385353

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=C(C=C3)C4=NC=CS4)N=C5C=CC(=CC5=C2C(=O)[O-])F.[Na+]

Isomeric SMILES

C1CC2=C(C3=C1C=C(C=C3)C4=NC=CS4)N=C5C=CC(=CC5=C2C(=O)[O-])F.[Na+]

InChI

InChI=1S/C21H13FN2O2S.Na/c22-13-3-6-17-16(10-13)18(21(25)26)15-5-1-11-9-12(20-23-7-8-27-20)2-4-14(11)19(15)24-17;/h2-4,6-10H,1,5H2,(H,25,26);/q;+1/p-1