(2-azanyl-4-sulfanyl-butanoyl)-[3-(2-methanoylphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-(oxidanylidenemethylidene)azanium

Systemtic Name: (2-azanyl-4-sulfanyl-butanoyl)-[3-(2-methanoylphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-(oxidanylidenemethylidene)azanium Openeye Name: (2-amino-4-sulfanyl-butanoyl)-[1-[(2-formylphenyl)methyl]-2-hydroxy-2-oxo-ethyl]-(oxomethylene)ammonium CAS Name: (2-amino-4-mercapto-1-oxobutyl)-[3-(2-formylphenyl)-1-hydroxy-1-oxopropan-2-yl]-(oxomethylidene)ammonium IUPAC Name: (2-amino-4-sulfanylbutanoyl)-[3-(2-formylphenyl)-1-hydroxy-1-oxopropan-2-yl]-(oxomethylidene)azanium Traditional Name: (2-amino-4-mercapto-butanoyl)-[1-(2-formylbenzyl)-2-hydroxy-2-keto-ethyl]-(ketomethylene)ammonium Formula: C15H17N2O5S+ MolecularWeight: 337.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)O)[N+](=C=O)C(=O)C(CCS)N)C=O

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)O)[N+](=C=O)C(=O)C(CCS)N)C=O

InChI

InChI=1S/C15H16N2O5S/c16-12(5-6-23)14(20)17(9-19)13(15(21)22)7-10-3-1-2-4-11(10)8-18/h1-4,8,12-13H,5-7,16H2,(H-,21,22,23)/p+1