2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-amino-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-amino-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

C[C@@H](C(=O)N)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H11NO3S/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H2,11,12)(H,13,14)/t6-/m0/s1