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

Systemtic Name: 3-[[(6S)-6-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propanoate Openeye Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propanoate CAS Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]propanoate IUPAC Name: 3-[[(6S)-6-methyl-4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]sulfanyl]propanoate Traditional Name: 3-[[(6S)-4-keto-6-methyl-5,6,7,8-tetrahydro-1H-quinazolin-2-yl]thio]propionate Formula: C12H15N2O3S- MolecularWeight: 267.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=O)N=C(N2)SCCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=O)N=C(N2)SCCC(=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-7-2-3-9-8(6-7)11(17)14-12(13-9)18-5-4-10(15)16/h7H,2-6H2,1H3,(H,15,16)(H,13,14,17)/p-1/t7-/m0/s1