phenacyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: phenacyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: phenacyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid phenacyl ester Formula: C20H17NO3S2 MolecularWeight: 383.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO3S2/c1-14-21-16(12-25-14)13-26-19-10-6-5-9-17(19)20(23)24-11-18(22)15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3