(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H24N2O5S3/c25-21(20-7-2-1-5-18(20)16-31-22-23-8-13-30-22)29-15-17-4-3-6-19(14-17)32(26,27)24-9-11-28-12-10-24/h1-7,14H,8-13,15-16H2