(E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(4-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-(2-thienyl)acrylamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C21H23N3O4S3/c1-31(26,27)18-6-2-5-17-20(18)22-21(30-17)24(10-9-23-11-13-28-14-12-23)19(25)8-7-16-4-3-15-29-16/h2-8,15H,9-14H2,1H3/b8-7+