4-azanyl-2-[2,5-bis(azanyl)-5-sulfanylidene-pentanoyl]oxy-benzoic acid

Systemtic Name: 4-azanyl-2-[2,5-bis(azanyl)-5-sulfanylidene-pentanoyl]oxy-benzoic acid Openeye Name: 4-amino-2-(2,5-diamino-5-thioxo-pentanoyl)oxy-benzoic acid CAS Name: 4-amino-2-(2,5-diamino-1-oxo-5-sulfanylidenepentoxy)benzoic acid IUPAC Name: 4-amino-2-(2,5-diamino-5-sulfanylidenepentanoyl)oxybenzoic acid Traditional Name: 4-amino-2-(2,5-diamino-5-thioxo-pentanoyl)oxy-benzoic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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