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

Systemtic Name: 2-[(4-ethoxycarbonylphenyl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(4-ethoxycarbonylphenyl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[(4-ethoxycarbonylphenyl)methylthio]-4-quinazolinolate IUPAC Name: 2-[(4-ethoxycarbonylphenyl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[(4-carbethoxybenzyl)thio]quinazolin-4-olate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-2-23-17(22)13-9-7-12(8-10-13)11-24-18-19-15-6-4-3-5-14(15)16(21)20-18/h3-10H,2,11H2,1H3,(H,19,20,21)/p-1