[2-[(Z)-[2-(1,2-diazinan-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-4-fluoranyl-phenyl] (3R)-3-(diethylamino)pyrrolidine-1-carboxylate

Systemtic Name: [2-[(Z)-[2-(1,2-diazinan-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-4-fluoranyl-phenyl] (3R)-3-(diethylamino)pyrrolidine-1-carboxylate Openeye Name: [4-fluoro-2-[(Z)-(2-hexahydropyridazin-1-yl-4-oxo-thiazol-5-ylidene)methyl]phenyl] (3R)-3-(diethylamino)pyrrolidine-1-carboxylate CAS Name: (3R)-3-(diethylamino)-1-pyrrolidinecarboxylic acid [2-[(Z)-[2-(1-diazinanyl)-4-oxo-5-thiazolylidene]methyl]-4-fluorophenyl] ester IUPAC Name: [2-[(Z)-[2-(diazinan-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]-4-fluorophenyl] (3R)-3-(diethylamino)pyrrolidine-1-carboxylate Traditional Name: (3R)-3-(diethylamino)pyrrolidine-1-carboxylic acid [4-fluoro-2-[(Z)-(2-hexahydropyridazin-1-yl-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C23H30FN5O3S MolecularWeight: 475.579403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCN(C1)C(=O)OC2=C(C=C(C=C2)F)C=C3C(=O)N=C(S3)N4CCCCN4

Isomeric SMILES

CCN(CC)[C@@H]1CCN(C1)C(=O)OC2=C(C=C(C=C2)F)/C=C\3/C(=O)N=C(S3)N4CCCCN4

InChI

InChI=1S/C23H30FN5O3S/c1-3-27(4-2)18-9-12-28(15-18)23(31)32-19-8-7-17(24)13-16(19)14-20-21(30)26-22(33-20)29-11-6-5-10-25-29/h7-8,13-14,18,25H,3-6,9-12,15H2,1-2H3/b20-14-/t18-/m1/s1