ethyl 2-[5-chloranyl-4-(4-methylphenyl)sulfonyl-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[5-chloranyl-4-(4-methylphenyl)sulfonyl-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[5-chloro-4-(p-tolylsulfonyl)-3H-thiazol-2-ylidene]-3-oxo-butanoate CAS Name: 2-[5-chloro-4-(4-methylphenyl)sulfonyl-3H-thiazol-2-ylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[5-chloro-4-(4-methylphenyl)sulfonyl-3H-1,3-thiazol-2-ylidene]-3-oxobutanoate Traditional Name: 2-(5-chloro-4-tosyl-4-thiazolin-2-ylidene)-3-keto-butyric acid ethyl ester Formula: C16H16ClNO5S2 MolecularWeight: 401.88494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NC(=C(S1)Cl)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C

Isomeric SMILES

CCOC(=O)C(=C1NC(=C(S1)Cl)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C

InChI

InChI=1S/C16H16ClNO5S2/c1-4-23-16(20)12(10(3)19)14-18-15(13(17)24-14)25(21,22)11-7-5-9(2)6-8-11/h5-8,18H,4H2,1-3H3