(2S)-2-azaniumyl-3-naphthalen-1-ylcarbonylsulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-naphthalen-1-ylcarbonylsulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-(naphthalene-1-carbonylsulfanyl)propanoate CAS Name: (2S)-2-ammonio-3-[[1-naphthalenyl(oxo)methyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(naphthalene-1-carbonylsulfanyl)propanoate Traditional Name: (2S)-2-ammonio-3-(1-naphthoylthio)propionate Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H13NO3S/c15-12(13(16)17)8-19-14(18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,15H2,(H,16,17)/t12-/m1/s1