5-(5-chloranylthiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-(4-oxidanylpiperidin-1-yl)carbonyl-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-(4-oxidanylpiperidin-1-yl)carbonyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-5-(4-hydroxypiperidine-1-carbonyl)-2-(isoxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-5-[(4-hydroxy-1-piperidinyl)-oxomethyl]-2-(3-isoxazolylmethyl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-5-(4-hydroxypiperidine-1-carbonyl)-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-5-(4-hydroxypiperidine-1-carbonyl)-2-(isoxazol-3-ylmethyl)-3-pyrazoline-3-carboxylic acid Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCC1O)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H19ClN4O5S/c19-15-2-1-14(29-15)18(17(27)22-6-3-12(24)4-7-22)9-13(16(25)26)23(21-18)10-11-5-8-28-20-11/h1-2,5,8-9,12,21,24H,3-4,6-7,10H2,(H,25,26)