4-azanyl-2-[(5-azanyl-1-oxidanyl-1-oxidanylidene-5-sulfanylidene-pentan-2-yl)carbamoyloxy]benzoic acid

Systemtic Name: 4-azanyl-2-[(5-azanyl-1-oxidanyl-1-oxidanylidene-5-sulfanylidene-pentan-2-yl)carbamoyloxy]benzoic acid Openeye Name: 4-amino-2-[(4-amino-1-carboxy-4-thioxo-butyl)carbamoyloxy]benzoic acid CAS Name: 4-amino-2-[[(5-amino-1-hydroxy-1-oxo-5-sulfanylidenepentan-2-yl)amino]-oxomethoxy]benzoic acid IUPAC Name: 4-amino-2-[(5-amino-1-hydroxy-1-oxo-5-sulfanylidenepentan-2-yl)carbamoyloxy]benzoic acid Traditional Name: 4-amino-2-[(4-amino-1-carboxy-4-thioxo-butyl)carbamoyloxy]benzoic acid Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6S/c14-6-1-2-7(11(17)18)9(5-6)22-13(21)16-8(12(19)20)3-4-10(15)23/h1-2,5,8H,3-4,14H2,(H2,15,23)(H,16,21)(H,17,18)(H,19,20)