(3-morpholin-4-ylsulfonylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O5S2/c24-21(9-8-20-22-18-6-1-2-7-19(18)29-20)28-15-16-4-3-5-17(14-16)30(25,26)23-10-12-27-13-11-23/h1-7,14H,8-13,15H2