(2S)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-phenyl-propanoic acid Openeye Name: (2S)-2-(3-methoxy-3-oxo-propyl)sulfanyl-3-phenyl-propanoic acid CAS Name: (2S)-2-[(3-methoxy-3-oxopropyl)thio]-3-phenylpropanoic acid IUPAC Name: (2S)-2-(3-methoxy-3-oxopropyl)sulfanyl-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3-keto-3-methoxy-propyl)thio]-3-phenyl-propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

COC(=O)CCS[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-17-12(14)7-8-18-11(13(15)16)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)/t11-/m0/s1