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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-thiomorpholin-4-ylcarbonyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(thiomorpholine-4-carbonyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-2-(3-isoxazolylmethyl)-5-[oxo(thiomorpholin-4-yl)methyl]-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-(thiomorpholine-4-carbonyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-(thiomorpholine-4-carbonyl)-3-pyrazoline-3-carboxylic acid Formula: C17H17ClN4O4S2 MolecularWeight: 440.92428

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CSCCN1C(=O)C2(C=C(N(N2)CC3=NOC=C3)C(=O)O)C4=CC=C(S4)Cl

InChI

InChI=1S/C17H17ClN4O4S2/c18-14-2-1-13(28-14)17(16(25)21-4-7-27-8-5-21)9-12(15(23)24)22(20-17)10-11-3-6-26-19-11/h1-3,6,9,20H,4-5,7-8,10H2,(H,23,24)