(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]acrylic acid Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=C(C(=O)O)SC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1/C=C(/C(=O)O)\SC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O4S/c1-12-14(18(24)23(22-12)13-7-3-2-4-8-13)11-17(19(25)26)28-20-21-15-9-5-6-10-16(15)27-20/h2-11,14H,1H3,(H,25,26)/b17-11-/t14-/m1/s1