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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-(3-oxidanylidenepiperazin-1-yl)carbonyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(3-oxopiperazine-1-carbonyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-2-(3-isoxazolylmethyl)-5-[oxo-(3-oxo-1-piperazinyl)methyl]-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-(3-oxopiperazine-1-carbonyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(3-ketopiperazine-1-carbonyl)-3-pyrazoline-3-carboxylic acid Formula: C17H16ClN5O5S MolecularWeight: 437.85744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

InChI

InChI=1S/C17H16ClN5O5S/c18-13-2-1-12(29-13)17(16(27)22-5-4-19-14(24)9-22)7-11(15(25)26)23(21-17)8-10-3-6-28-20-10/h1-3,6-7,21H,4-5,8-9H2,(H,19,24)(H,25,26)