(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CSC(=N3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CSC(=N3)NC(=O)C

InChI

InChI=1S/C21H18N2O4S/c1-13-7-9-15(10-8-13)19(25)17-5-3-4-6-18(17)20(26)27-11-16-12-28-21(23-16)22-14(2)24/h3-10,12H,11H2,1-2H3,(H,22,23,24)