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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S2/c1-13(22)14-7-9-15(10-8-14)28(24,25)21(2)11-19(23)26-12-18-20-16-5-3-4-6-17(16)27-18/h3-10H,11-12H2,1-2H3