N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-furylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(2-furanylmethyl)-2-[(4-methoxyphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)thio]acetamide Formula: C22H20N2O5S3 MolecularWeight: 488.5996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O5S3/c1-28-15-5-7-17(8-6-15)30-14-21(25)24(13-16-4-3-11-29-16)22-23-19-10-9-18(32(2,26)27)12-20(19)31-22/h3-12H,13-14H2,1-2H3