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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetate CAS Name: 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate Traditional Name: 2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O5S3 MolecularWeight: 474.57302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O5S3/c1-23(31(25,26)21-7-4-12-29-21)15-8-10-16(11-9-15)27-14-20(24)28-13-19-22-17-5-2-3-6-18(17)30-19/h2-12H,13-14H2,1H3