4-[(7-chloranyl-4-methylsulfanyl-quinolin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(7-chloranyl-4-methylsulfanyl-quinolin-2-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(7-chloro-4-methylsulfanyl-quinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[7-chloro-4-(methylthio)-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[(7-chloro-4-methylsulfanylquinoline-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[7-chloro-4-(methylthio)quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C23H27ClN4O6S MolecularWeight: 523.00168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)Cl)C(=C2)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=C(C=CC(=C3)Cl)C(=C2)SC

InChI

InChI=1S/C23H27ClN4O6S/c1-3-34-23(33)28-10-8-27(9-11-28)22(32)16(6-7-20(29)30)26-21(31)18-13-19(35-2)15-5-4-14(24)12-17(15)25-18/h4-5,12-13,16H,3,6-11H2,1-2H3,(H,26,31)(H,29,30)