5-[[4-[4-(octadecan-3-ylcarbamoylsulfanyl)-3-oxidanyl-5-oxidanylidene-1H-pyrazol-2-yl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-[4-(octadecan-3-ylcarbamoylsulfanyl)-3-oxidanyl-5-oxidanylidene-1H-pyrazol-2-yl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-[4-(1-ethylhexadecylcarbamoylsulfanyl)-3-hydroxy-5-oxo-1H-pyrazol-2-yl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-[3-hydroxy-4-[[(octadecan-3-ylamino)-oxomethyl]thio]-5-oxo-1H-pyrazol-2-yl]anilino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-[3-hydroxy-4-(octadecan-3-ylcarbamoylsulfanyl)-5-oxo-1H-pyrazol-2-yl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-[4-(1-ethylhexadecylcarbamoylthio)-5-hydroxy-3-keto-3-pyrazolin-1-yl]phenyl]carbamoyl]isophthalic acid Formula: C37H50N4O8S MolecularWeight: 710.8799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)NC(=O)SC1=C(N(NC1=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)NC(=O)SC1=C(N(NC1=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O)O

InChI

InChI=1S/C37H50N4O8S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-28(4-2)39-37(49)50-31-33(43)40-41(34(31)44)30-20-18-29(19-21-30)38-32(42)25-22-26(35(45)46)24-27(23-25)36(47)48/h18-24,28,44H,3-17H2,1-2H3,(H,38,42)(H,39,49)(H,40,43)(H,45,46)(H,47,48)