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

Systemtic Name: 2-[[(6S)-6-methyl-4-oxidanidyl-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]thio]methyl]benzoate IUPAC Name: 2-[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[(6S)-6-methyl-4-oxido-5,6,7,8-tetrahydroquinazolin-2-yl]thio]methyl]benzoate Formula: C17H16N2O3S-2 MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NC(=N2)SCC3=CC=CC=C3C(=O)[O-])[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NC(=N2)SCC3=CC=CC=C3C(=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O3S/c1-10-6-7-14-13(8-10)15(20)19-17(18-14)23-9-11-4-2-3-5-12(11)16(21)22/h2-5,10H,6-9H2,1H3,(H,21,22)(H,18,19,20)/p-2/t10-/m0/s1