methyl 2-[4-[(3-butyl-4-sulfanylidene-quinolin-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(3-butyl-4-sulfanylidene-quinolin-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3-butyl-4-thioxo-1-quinolyl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-4-sulfanylidene-1-quinolinyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-butyl-4-sulfanylidenequinolin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-4-thioxo-1-quinolyl)methyl]phenyl]benzoic acid methyl ester Formula: C28H27NO2S MolecularWeight: 441.58448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=CC=CC=C2C1=S)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=CN(C2=CC=CC=C2C1=S)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H27NO2S/c1-3-4-9-22-19-29(26-13-8-7-12-25(26)27(22)32)18-20-14-16-21(17-15-20)23-10-5-6-11-24(23)28(30)31-2/h5-8,10-17,19H,3-4,9,18H2,1-2H3