4-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanylbenzoate

Systemtic Name: 4-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-keto-1-methyl-2-(propargylamino)ethyl]thio]benzoate Formula: C13H12NO3S- MolecularWeight: 262.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)SC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC#C)SC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H13NO3S/c1-3-8-14-12(15)9(2)18-11-6-4-10(5-7-11)13(16)17/h1,4-7,9H,8H2,2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1