1,3-benzothiazol-2-ylmethyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O4S2/c1-13-7-9-14(10-8-13)26(22,23)20(2)11-18(21)24-12-17-19-15-5-3-4-6-16(15)25-17/h3-10H,11-12H2,1-2H3