3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoic acid

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoic acid Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 3-[(2-amino-2-oxoethyl)thio]benzoic acid IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanylbenzoic acid Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]benzoic acid Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)N)C(=O)O

InChI

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