4-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 4-[(2-amino-2-oxoethyl)thio]benzoate IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]benzoate Formula: C9H8NO3S- MolecularWeight: 210.22972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SCC(=O)N

InChI

InChI=1S/C9H9NO3S/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)/p-1