2-ethylsulfanylethyl (4S,7S)-4-(5-bromanyl-2-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,7S)-4-(5-bromanyl-2-fluoranyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7S)-4-(5-bromo-2-fluoro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7S)-4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(5-bromo-2-fluoro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H25BrFNO3S2 MolecularWeight: 550.503303

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)N=C1C)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CS3)N=C1C)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C25H25BrFNO3S2/c1-3-32-10-8-31-25(30)22-14(2)28-19-11-15(21-5-4-9-33-21)12-20(29)24(19)23(22)17-13-16(26)6-7-18(17)27/h4-7,9,13,15,22-23H,3,8,10-12H2,1-2H3/t15-,22?,23-/m0/s1