methyl (5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-7-phenylsulfanyl-hept-2-ynoate

Systemtic Name: methyl (5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-oxidanyl-7-phenylsulfanyl-hept-2-ynoate Openeye Name: methyl (5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-7-phenylsulfanyl-hept-2-ynoate CAS Name: (5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-7-(phenylthio)-2-heptynoic acid methyl ester IUPAC Name: methyl (5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-5-hydroxy-7-phenylsulfanylhept-2-ynoate Traditional Name: (5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-5-hydroxy-7-(phenylthio)hept-2-ynoic acid methyl ester Formula: C32H28FNO3S MolecularWeight: 525.633023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCC(CC(C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)SC5=CC=CC=C5)O

Isomeric SMILES

COC(=O)C#CC[C@@H](CC(C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)SC5=CC=CC=C5)O

InChI

InChI=1S/C32H28FNO3S/c1-37-29(36)13-7-8-24(35)20-28(38-25-9-3-2-4-10-25)31-30(21-16-18-23(33)19-17-21)26-11-5-6-12-27(26)34-32(31)22-14-15-22/h2-6,9-12,16-19,22,24,28,35H,8,14-15,20H2,1H3/t24-,28?/m0/s1