methyl 5-[(3-butyl-5-methylsulfanyl-4-oxidanylidene-quinolin-1-yl)methyl]-2-phenyl-benzoate

Systemtic Name: methyl 5-[(3-butyl-5-methylsulfanyl-4-oxidanylidene-quinolin-1-yl)methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[(3-butyl-5-methylsulfanyl-4-oxo-1-quinolyl)methyl]-2-phenyl-benzoate CAS Name: 5-[[3-butyl-5-(methylthio)-4-oxo-1-quinolinyl]methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[(3-butyl-5-methylsulfanyl-4-oxoquinolin-1-yl)methyl]-2-phenylbenzoate Traditional Name: 5-[[3-butyl-4-keto-5-(methylthio)-1-quinolyl]methyl]-2-phenyl-benzoic acid methyl ester Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C(=CC=C2)SC)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C(=CC=C2)SC)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H29NO3S/c1-4-5-10-22-19-30(25-13-9-14-26(34-3)27(25)28(22)31)18-20-15-16-23(21-11-7-6-8-12-21)24(17-20)29(32)33-2/h6-9,11-17,19H,4-5,10,18H2,1-3H3