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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[(4-ethoxyphenyl)sulfonyl-methyl-amino]phenoxy]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[(4-ethoxyphenyl)sulfonyl-methyl-amino]phenoxy]acetate CAS Name: 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate Traditional Name: 2-[4-[methyl(p-phenetylsulfonyl)amino]phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H24N2O6S2 MolecularWeight: 512.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N2O6S2/c1-3-31-19-12-14-21(15-13-19)35(29,30)27(2)18-8-10-20(11-9-18)32-17-25(28)33-16-24-26-22-6-4-5-7-23(22)34-24/h4-15H,3,16-17H2,1-2H3