2-[2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-[2-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-2-oxo-ethyl]sulfanyl-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-[[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]thio]-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanyl-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-[[2-keto-2-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methylamino]ethyl]thio]-1,3-benzoxazole-5-carboxylic acid Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CNC(=O)CSC3=NC4=C(O3)C=CC(=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CNC(=O)CSC3=NC4=C(O3)C=CC(=C4)C(=O)O

InChI

InChI=1S/C21H18N4O5S/c1-12-15(19(27)25(24-12)14-5-3-2-4-6-14)10-22-18(26)11-31-21-23-16-9-13(20(28)29)7-8-17(16)30-21/h2-9,24H,10-11H2,1H3,(H,22,26)(H,28,29)