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

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

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

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=NC4=CC=CC=C4S3


InChI

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


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