(3-morpholin-4-ylsulfonylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H22N2O5S3 MolecularWeight: 490.61548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C22H22N2O5S3/c25-22(20-6-1-2-7-21(20)31-15-18-14-30-16-23-18)29-13-17-4-3-5-19(12-17)32(26,27)24-8-10-28-11-9-24/h1-7,12,14,16H,8-11,13,15H2