2-ethylsulfonyl-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-ethylsulfonyl-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-ethylsulfonyl-N-(2-furylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-ethylsulfonyl-N-(2-furanylmethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-ethylsulfonyl-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-esyl-N-(2-furfuryl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C22H20N2O4S3/c1-3-31(26,27)19-12-5-4-9-16(19)21(25)24(14-15-8-7-13-28-15)22-23-20-17(29-2)10-6-11-18(20)30-22/h4-13H,3,14H2,1-2H3