S-(2-oxidanylidenepropyl) 5-methyl-3-phenyl-1,2-oxazole-4-carbothioate

Systemtic Name: S-(2-oxidanylidenepropyl) 5-methyl-3-phenyl-1,2-oxazole-4-carbothioate Openeye Name: S-acetonyl 5-methyl-3-phenyl-isoxazole-4-carbothioate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarbothioic acid S-(2-oxopropyl) ester IUPAC Name: S-(2-oxopropyl) 5-methyl-3-phenyl-1,2-oxazole-4-carbothioate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carbothioic acid S-acetonyl ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)SCC(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)SCC(=O)C

InChI

InChI=1S/C14H13NO3S/c1-9(16)8-19-14(17)12-10(2)18-15-13(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3