1,3-thiazol-2-ylmethyl 2-[(E)-2-(5-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethenyl]benzoate hydrochloride

Systemtic Name: 1,3-thiazol-2-ylmethyl 2-[(E)-2-(5-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethenyl]benzoate hydrochloride Openeye Name: thiazol-2-ylmethyl 2-[(E)-2-(5-oxo-2-phenyl-1H-pyrazol-4-yl)vinyl]benzoate hydrochloride CAS Name: 2-[(E)-2-(5-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl]benzoic acid 2-thiazolylmethyl ester hydrochloride IUPAC Name: 1,3-thiazol-2-ylmethyl 2-[(E)-2-(5-oxo-2-phenyl-1H-pyrazol-4-yl)ethenyl]benzoate hydrochloride Traditional Name: 2-[(E)-2-(3-keto-1-phenyl-3-pyrazolin-4-yl)vinyl]benzoic acid thiazol-2-ylmethyl ester hydrochloride Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=O)N2)C=CC3=CC=CC=C3C(=O)OCC4=NC=CS4.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=O)N2)/C=C/C3=CC=CC=C3C(=O)OCC4=NC=CS4.Cl

InChI

InChI=1S/C22H17N3O3S.ClH/c26-21-17(14-25(24-21)18-7-2-1-3-8-18)11-10-16-6-4-5-9-19(16)22(27)28-15-20-23-12-13-29-20;/h1-14H,15H2,(H,24,26);1H/b11-10+;