2-[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-2-(methyldiazenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[4-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-2-(methyldiazenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[4-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-2-methylazo-phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[4-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-2-methylazophenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[4-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-2-(methyldiazenyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-2-methylazo-phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)N=NC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C=C(C=C2)NC(=O)CCC(C(=O)O)N)N=NC)C(=O)O

InChI

InChI=1S/C17H19N5O5S/c1-8-14(17(26)27)28-15(20-8)10-4-3-9(7-12(10)22-19-2)21-13(23)6-5-11(18)16(24)25/h3-4,7,11H,5-6,18H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)