6-[[5-[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]sulfanyl-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid

Systemtic Name: 6-[[5-[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]sulfanyl-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid Openeye Name: 6-[[5-[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-phenyl]sulfanylthiazol-2-yl]amino]pyridine-2-carboxylic acid CAS Name: 6-[[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-hydroxyphenyl]thio]-2-thiazolyl]amino]-2-pyridinecarboxylic acid IUPAC Name: 6-[[5-[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxyphenyl]sulfanyl-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid Traditional Name: 6-[[5-[[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-phenyl]thio]thiazol-2-yl]amino]picolinic acid Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC3=CN=C(S3)NC4=CC=CC(=N4)C(=O)O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC3=CN=C(S3)NC4=CC=CC(=N4)C(=O)O)O

InChI

InChI=1S/C22H21N5O5S2/c1-13(28)26-7-9-27(10-8-26)20(30)15-11-14(5-6-17(15)29)33-19-12-23-22(34-19)25-18-4-2-3-16(24-18)21(31)32/h2-6,11-12,29H,7-10H2,1H3,(H,31,32)(H,23,24,25)