4-[[6-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-4-oxidanylidene-2,3-dihydroquinazolin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-4-oxidanylidene-2,3-dihydroquinazolin-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-4-oxo-2,3-dihydroquinazolin-1-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-[4-(methylthio)phenyl]prop-1-ynyl]-4-oxo-2,3-dihydroquinazolin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-4-oxo-2,3-dihydroquinazolin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-[4-(methylthio)phenyl]prop-1-ynyl]-2,3-dihydroquinazolin-1-yl]methyl]benzoic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(CNC3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(CNC3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H22N2O3S/c1-32-22-12-7-18(8-13-22)3-2-4-19-9-14-24-23(15-19)25(29)27-17-28(24)16-20-5-10-21(11-6-20)26(30)31/h5-15H,3,16-17H2,1H3,(H,27,29)(H,30,31)