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

Systemtic Name: 2-(4-ethylsulfanylphenyl)-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-ethylsulfanylphenyl)-N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(ethylthio)phenyl]-N-(2-furanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-ethylsulfanylphenyl)-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[4-(ethylthio)phenyl]-N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C23H22N2O4S3 MolecularWeight: 486.62678

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H22N2O4S3/c1-3-30-18-8-6-16(7-9-18)13-22(26)25(15-17-5-4-12-29-17)23-24-20-11-10-19(32(2,27)28)14-21(20)31-23/h4-12,14H,3,13,15H2,1-2H3