3-[[1-(3-chloranylphenothiazin-10-yl)carbonylpiperidin-2-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[1-(3-chloranylphenothiazin-10-yl)carbonylpiperidin-2-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[1-(3-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[1-[(3-chloro-10-phenothiazinyl)-oxomethyl]-2-piperidinyl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[1-(3-chlorophenothiazine-10-carbonyl)piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[1-(3-chlorophenothiazine-10-carbonyl)pipecoloyl]amino]-5-fluoro-4-keto-valeric acid Formula: C24H23ClFN3O5S MolecularWeight: 519.972923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)N2C3=C(C=C(C=C3)Cl)SC4=CC=CC=C42

Isomeric SMILES

C1CCN(C(C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)N2C3=C(C=C(C=C3)Cl)SC4=CC=CC=C42

InChI

InChI=1S/C24H23ClFN3O5S/c25-14-8-9-17-21(11-14)35-20-7-2-1-5-16(20)29(17)24(34)28-10-4-3-6-18(28)23(33)27-15(12-22(31)32)19(30)13-26/h1-2,5,7-9,11,15,18H,3-4,6,10,12-13H2,(H,27,33)(H,31,32)