(2-acetamido-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C15H17N3O5S2/c1-10-3-5-13(6-4-10)25(21,22)16-7-14(20)23-8-12-9-24-15(18-12)17-11(2)19/h3-6,9,16H,7-8H2,1-2H3,(H,17,18,19)