ethyl 2-[2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(3-morpholinosulfonylphenyl)methylsulfanyl]thiazol-4-yl]acetate CAS Name: 2-[2-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(3-morpholinosulfonylbenzyl)thio]thiazol-4-yl]acetic acid ethyl ester Formula: C18H22N2O5S3 MolecularWeight: 442.57268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22N2O5S3/c1-2-25-17(21)11-15-13-27-18(19-15)26-12-14-4-3-5-16(10-14)28(22,23)20-6-8-24-9-7-20/h3-5,10,13H,2,6-9,11-12H2,1H3