(3-morpholin-4-ylsulfonylphenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H18N2O5S2/c22-19(15-4-5-17-18(11-15)27-13-20-17)26-12-14-2-1-3-16(10-14)28(23,24)21-6-8-25-9-7-21/h1-5,10-11,13H,6-9,12H2