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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-(3-oxidanylazetidin-1-yl)carbonyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-5-(3-hydroxyazetidine-1-carbonyl)-2-(isoxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-5-[(3-hydroxy-1-azetidinyl)-oxomethyl]-2-(3-isoxazolylmethyl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-5-(3-hydroxyazetidine-1-carbonyl)-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-5-(3-hydroxyazetidine-1-carbonyl)-2-(isoxazol-3-ylmethyl)-3-pyrazoline-3-carboxylic acid Formula: C16H15ClN4O5S MolecularWeight: 410.8321

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl)O

Isomeric SMILES

C1C(CN1C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl)O

InChI

InChI=1S/C16H15ClN4O5S/c17-13-2-1-12(27-13)16(15(25)20-7-10(22)8-20)5-11(14(23)24)21(19-16)6-9-3-4-26-18-9/h1-5,10,19,22H,6-8H2,(H,23,24)