ethyl 4-(3-oxidanylidene-5-phenyl-1,2-thiazol-2-yl)benzoate

Systemtic Name: ethyl 4-(3-oxidanylidene-5-phenyl-1,2-thiazol-2-yl)benzoate Openeye Name: ethyl 4-(3-oxo-5-phenyl-isothiazol-2-yl)benzoate CAS Name: 4-(3-oxo-5-phenyl-2-isothiazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-oxo-5-phenyl-1,2-thiazol-2-yl)benzoate Traditional Name: 4-(3-keto-5-phenyl-4-isothiazolin-2-yl)benzoic acid ethyl ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO3S/c1-2-22-18(21)14-8-10-15(11-9-14)19-17(20)12-16(23-19)13-6-4-3-5-7-13/h3-12H,2H2,1H3