methyl 4-[furan-2-ylmethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[furan-2-ylmethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[2-furylmethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[2-furanylmethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[furan-2-ylmethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[2-furfuryl-(4-mesyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6S2/c1-29-21(26)15-10-8-14(9-11-15)20(25)24(13-16-5-4-12-30-16)22-23-19-17(31-22)6-3-7-18(19)32(2,27)28/h3-12H,13H2,1-2H3