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

Systemtic Name: methyl 6-[[5-[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]sulfanyl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[[5-[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-phenyl]sulfanylthiazol-2-yl]amino]pyridine-3-carboxylate CAS Name: 6-[[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-hydroxyphenyl]thio]-2-thiazolyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[5-[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxyphenyl]sulfanyl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate Traditional Name: 6-[[5-[[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-phenyl]thio]thiazol-2-yl]amino]nicotinic acid methyl ester Formula: C23H23N5O5S2 MolecularWeight: 513.58922

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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=NC=C(C=C4)C(=O)OC)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC3=CN=C(S3)NC4=NC=C(C=C4)C(=O)OC)O

InChI

InChI=1S/C23H23N5O5S2/c1-14(29)27-7-9-28(10-8-27)21(31)17-11-16(4-5-18(17)30)34-20-13-25-23(35-20)26-19-6-3-15(12-24-19)22(32)33-2/h3-6,11-13,30H,7-10H2,1-2H3,(H,24,25,26)