2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoic acid Openeye Name: 2-[3-allyl-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-4-oxo-thiazolidin-5-yl]acetic acid CAS Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-4-oxo-3-prop-2-enyl-5-thiazolidinyl]acetic acid IUPAC Name: 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid Traditional Name: 2-[3-allyl-4-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]thiazolidin-5-yl]acetic acid Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C(S3)CC(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C(S3)CC(=O)O)CC=C

InChI

InChI=1S/C19H20N4O4S/c1-4-10-22-17(26)14(11-15(24)25)28-19(22)20-16-12(2)21(3)23(18(16)27)13-8-6-5-7-9-13/h4-9,14H,1,10-11H2,2-3H3,(H,24,25)