5-oxidanylidene-5-[(2-sulfanylphenyl)amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[(2-sulfanylphenyl)amino]pentanoic acid Openeye Name: 5-oxo-5-(2-sulfanylanilino)pentanoic acid CAS Name: 5-(2-mercaptoanilino)-5-oxopentanoic acid IUPAC Name: 5-oxo-5-(2-sulfanylanilino)pentanoic acid Traditional Name: 5-keto-5-(2-mercaptoanilino)valeric acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCC(=O)O)S

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCC(=O)O)S

InChI

InChI=1S/C11H13NO3S/c13-10(6-3-7-11(14)15)12-8-4-1-2-5-9(8)16/h1-2,4-5,16H,3,6-7H2,(H,12,13)(H,14,15)