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

Systemtic Name: methyl 2-[4-[(3-butyl-5-methylsulfanyl-4-oxidanylidene-quinolin-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3-butyl-5-methylsulfanyl-4-oxo-1-quinolyl)methyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-5-(methylthio)-4-oxo-1-quinolinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-butyl-5-methylsulfanyl-4-oxoquinolin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[[3-butyl-4-keto-5-(methylthio)-1-quinolyl]methyl]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=C4C(=O)OC

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C(=CC=C2)SC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

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