4-(3-oxidanylidene-5-phenyl-1,2-thiazol-2-yl)benzoic acid

Systemtic Name: 4-(3-oxidanylidene-5-phenyl-1,2-thiazol-2-yl)benzoic acid Openeye Name: 4-(3-oxo-5-phenyl-isothiazol-2-yl)benzoic acid CAS Name: 4-(3-oxo-5-phenyl-2-isothiazolyl)benzoic acid IUPAC Name: 4-(3-oxo-5-phenyl-1,2-thiazol-2-yl)benzoic acid Traditional Name: 4-(3-keto-5-phenyl-4-isothiazolin-2-yl)benzoic acid Formula: C16H11NO3S MolecularWeight: 297.32844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11NO3S/c18-15-10-14(11-4-2-1-3-5-11)21-17(15)13-8-6-12(7-9-13)16(19)20/h1-10H,(H,19,20)