3-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[(6S)-4-keto-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]methyl]benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)O

InChI

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