(2R)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoate; [(1R,2S)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]azanium

Systemtic Name: (2R)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoate; [(1R,2S)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]azanium Openeye Name: (2R)-2-(acetylsulfanylmethyl)-3-phenyl-propanoate; [(1R,2S)-2-hydroxyindan-1-yl]ammonium CAS Name: (2R)-2-[(acetylthio)methyl]-3-phenylpropanoate; [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ammonium IUPAC Name: (2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoate; [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium Traditional Name: (2R)-2-[(acetylthio)methyl]-3-phenyl-propionate; [(1R,2S)-2-hydroxyindan-1-yl]ammonium Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)[O-].C1C(C(C2=CC=CC=C21)[NH3+])O

Isomeric SMILES

CC(=O)SC[C@H](CC1=CC=CC=C1)C(=O)[O-].C1[C@@H]([C@@H](C2=CC=CC=C21)[NH3+])O

InChI

InChI=1S/C12H14O3S.C9H11NO/c1-9(13)16-8-11(12(14)15)7-10-5-3-2-4-6-10;10-9-7-4-2-1-3-6(7)5-8(9)11/h2-6,11H,7-8H2,1H3,(H,14,15);1-4,8-9,11H,5,10H2/t11-;8-,9+/m00/s1