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

Systemtic Name: 4-[2-[(4-oxidanidyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)thio]ethoxy]benzoate IUPAC Name: 4-[2-[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl)thio]ethoxy]benzoate Formula: C17H16N2O4S-2 MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O4S/c20-15-13-3-1-2-4-14(13)18-17(19-15)24-10-9-23-12-7-5-11(6-8-12)16(21)22/h5-8H,1-4,9-10H2,(H,21,22)(H,18,19,20)/p-2