[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=C3SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=C3SCC(=O)C

InChI

InChI=1S/C21H19NO3S2/c1-14-7-9-16(10-8-14)20-22-17(13-27-20)11-25-21(24)18-5-3-4-6-19(18)26-12-15(2)23/h3-10,13H,11-12H2,1-2H3