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

Systemtic Name: methyl 4-[2-[2-acetamido-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-4-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[2-acetamido-5-[(4-methylsulfonylphenyl)methyl]thiazol-4-yl]ethyl]benzoate CAS Name: 4-[2-[2-acetamido-5-[(4-methylsulfonylphenyl)methyl]-4-thiazolyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-acetamido-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-4-yl]ethyl]benzoate Traditional Name: 4-[2-[2-acetamido-5-(4-mesylbenzyl)thiazol-4-yl]ethyl]benzoic acid methyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)CC2=CC=C(C=C2)S(=O)(=O)C)CCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)CC2=CC=C(C=C2)S(=O)(=O)C)CCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O5S2/c1-15(26)24-23-25-20(13-8-16-4-9-18(10-5-16)22(27)30-2)21(31-23)14-17-6-11-19(12-7-17)32(3,28)29/h4-7,9-12H,8,13-14H2,1-3H3,(H,24,25,26)