(3-morpholin-4-ylsulfonylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O5S3/c23-19(14-28-20-21-17-6-1-2-7-18(17)29-20)27-13-15-4-3-5-16(12-15)30(24,25)22-8-10-26-11-9-22/h1-7,12H,8-11,13-14H2