3-chloranyl-5-phenyl-1,2-thiazole-4-carboxylate

Systemtic Name: 3-chloranyl-5-phenyl-1,2-thiazole-4-carboxylate Openeye Name: 3-chloro-5-phenyl-isothiazole-4-carboxylate CAS Name: 3-chloro-5-phenyl-4-isothiazolecarboxylate IUPAC Name: 3-chloro-5-phenyl-1,2-thiazole-4-carboxylate Traditional Name: 3-chloro-5-phenyl-isothiazole-4-carboxylate Formula: C10H5ClNO2S- MolecularWeight: 238.6702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NS2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NS2)Cl)C(=O)[O-]

InChI

InChI=1S/C10H6ClNO2S/c11-9-7(10(13)14)8(15-12-9)6-4-2-1-3-5-6/h1-5H,(H,13,14)/p-1