[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23N3O6S2/c1-14-3-6-17-18(11-14)32-22(23-17)24-20(26)13-31-21(27)16-5-4-15(2)19(12-16)33(28,29)25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,26)