1,3-benzothiazol-2-ylmethyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetate CAS Name: 2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate Traditional Name: 2-(4-methoxy-3-morpholinosulfonyl-phenyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N2O6S2/c1-27-17-7-6-15(12-19(17)31(25,26)23-8-10-28-11-9-23)13-21(24)29-14-20-22-16-4-2-3-5-18(16)30-20/h2-7,12H,8-11,13-14H2,1H3