ethyl 7-[(3S)-3-tert-butylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-2-methylsulfonyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-[(3S)-3-tert-butylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-2-methylsulfonyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[(3S)-3-tert-butylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2-methylsulfonyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-[(3S)-3-tert-butyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-2-methylsulfonyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[(3S)-3-tert-butylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2-methylsulfonyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-[(3S)-3-tert-butylpyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-2-mesyl-8-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C25H33FN2O6S MolecularWeight: 508.602723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)C(C)(C)C)OC)C4CC4)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)N3CC[C@H](C3)C(C)(C)C)OC)C4CC4)S(=O)(=O)C

InChI

InChI=1S/C25H33FN2O6S/c1-7-34-24(30)18-21(29)16-12-17(26)20(27-11-10-14(13-27)25(2,3)4)22(33-5)19(16)28(15-8-9-15)23(18)35(6,31)32/h12,14-15H,7-11,13H2,1-6H3/t14-/m1/s1