1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiomorpholin-4-ylcarbonyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-thiomorpholin-4-ylcarbonyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-[oxo(thiomorpholin-4-yl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-(thiomorpholine-4-carbonyl)pyrazole-3-carboxylic acid Formula: C17H15ClN4O4S2 MolecularWeight: 438.9084

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC(=NN2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1CSCCN1C(=O)C2=CC(=NN2CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C17H15ClN4O4S2/c18-15-2-1-14(28-15)13-7-10(20-26-13)9-22-12(8-11(19-22)17(24)25)16(23)21-3-5-27-6-4-21/h1-2,7-8H,3-6,9H2,(H,24,25)