4-[3-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[[(6S)-4-keto-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]propoxy]benzoate Formula: C19H21N2O4S- MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O4S/c1-12-3-8-16-15(11-12)17(22)21-19(20-16)26-10-2-9-25-14-6-4-13(5-7-14)18(23)24/h4-7,12H,2-3,8-11H2,1H3,(H,23,24)(H,20,21,22)/p-1/t12-/m0/s1