3-[(4-oxidanidyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-oxidanidyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzoate Formula: C16H14N2O3S-2 MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O3S/c19-14-12-6-1-2-7-13(12)17-16(18-14)22-9-10-4-3-5-11(8-10)15(20)21/h3-5,8H,1-2,6-7,9H2,(H,20,21)(H,17,18,19)/p-2