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

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: N-(2-furylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(2-furanylmethyl)-2-[(4-methoxyphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(2-furfuryl)-N-(4-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=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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