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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC(CCC(=S)N)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC(CCC(=S)N)C(=O)O)O)C(=O)O

InChI

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