2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-morpholinosulfonylphenyl)ethanone CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-[4-(4-morpholinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-(4-morpholinosulfonylphenyl)ethanone Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N2O5S3/c1-2-28-16-5-8-18-20(13-16)30-21(22-18)29-14-19(24)15-3-6-17(7-4-15)31(25,26)23-9-11-27-12-10-23/h3-8,13H,2,9-12,14H2,1H3