3-[5-(4-methoxyphenyl)furan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[5-(4-methoxyphenyl)-2-furyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[5-(4-methoxyphenyl)-2-furanyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[5-(4-methoxyphenyl)furan-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-[5-(4-methoxyphenyl)-2-furyl]propionamide Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O5S2/c1-28-15-5-3-14(4-6-15)19-11-7-16(29-19)8-12-21(25)24-22-23-18-10-9-17(31(2,26)27)13-20(18)30-22/h3-7,9-11,13H,8,12H2,1-2H3,(H,23,24,25)