methyl 4-[2-[2-acetamido-5-(4-methylsulfonylphenyl)-1,3-thiazol-4-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-acetamido-5-(4-methylsulfonylphenyl)-1,3-thiazol-4-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[2-acetamido-5-(4-methylsulfonylphenyl)thiazol-4-yl]ethyl]benzoate CAS Name: 4-[2-[2-acetamido-5-(4-methylsulfonylphenyl)-4-thiazolyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-acetamido-5-(4-methylsulfonylphenyl)-1,3-thiazol-4-yl]ethyl]benzoate Traditional Name: 4-[2-[2-acetamido-5-(4-mesylphenyl)thiazol-4-yl]ethyl]benzoic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)C2=CC=C(C=C2)S(=O)(=O)C)CCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)C2=CC=C(C=C2)S(=O)(=O)C)CCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O5S2/c1-14(25)23-22-24-19(13-6-15-4-7-17(8-5-15)21(26)29-2)20(30-22)16-9-11-18(12-10-16)31(3,27)28/h4-5,7-12H,6,13H2,1-3H3,(H,23,24,25)