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

Systemtic Name: 4-[2-[[(6S)-6-methyl-4-oxidanidyl-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]thio]ethoxy]benzoate Formula: C18H18N2O4S-2 MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NC(=N2)SCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NC(=N2)SCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C18H20N2O4S/c1-11-2-7-15-14(10-11)16(21)20-18(19-15)25-9-8-24-13-5-3-12(4-6-13)17(22)23/h3-6,11H,2,7-10H2,1H3,(H,22,23)(H,19,20,21)/p-2/t11-/m0/s1