[2,5-bis(azanyl)-5-sulfanylidene-pentanoyl] 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: [2,5-bis(azanyl)-5-sulfanylidene-pentanoyl] 5-azanyl-2-oxidanyl-benzoate Openeye Name: (2,5-diamino-5-thioxo-pentanoyl) 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid (2,5-diamino-1-oxo-5-sulfanylidenepentyl) ester IUPAC Name: (2,5-diamino-5-sulfanylidenepentanoyl) 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid (2,5-diamino-5-thioxo-pentanoyl) ester Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)OC(=O)C(CCC(=S)N)N)O

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)OC(=O)C(CCC(=S)N)N)O

InChI

InChI=1S/C12H15N3O4S/c13-6-1-3-9(16)7(5-6)11(17)19-12(18)8(14)2-4-10(15)20/h1,3,5,8,16H,2,4,13-14H2,(H2,15,20)