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

Systemtic Name: (2S)-2-[(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)thio]propionic acid Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C2=C(N1)CCCC2

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NC(=O)C2=C(N1)CCCC2

InChI

InChI=1S/C11H14N2O3S/c1-6(10(15)16)17-11-12-8-5-3-2-4-7(8)9(14)13-11/h6H,2-5H2,1H3,(H,15,16)(H,12,13,14)/t6-/m0/s1