(2S)-2-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)thio]propionic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC2=C(C=C1)N(CCC2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)O)SC1=CC2=C(C=C1)N(CCC2)C(=O)C

InChI

InChI=1S/C14H17NO3S/c1-9(14(17)18)19-12-5-6-13-11(8-12)4-3-7-15(13)10(2)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)/t9-/m0/s1