2-[(4-methoxycarbonylphenyl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(4-methoxycarbonylphenyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(4-carbomethoxybenzyl)thio]quinazolin-4-olate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-22-16(21)12-8-6-11(7-9-12)10-23-17-18-14-5-3-2-4-13(14)15(20)19-17/h2-9H,10H2,1H3,(H,18,19,20)/p-1