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

Systemtic Name: methyl 4-[furan-2-ylmethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[2-furylmethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[2-furanylmethyl-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[furan-2-ylmethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[2-furfuryl-[4-(methylthio)-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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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=C4SC

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S2/c1-27-21(26)15-10-8-14(9-11-15)20(25)24(13-16-5-4-12-28-16)22-23-19-17(29-2)6-3-7-18(19)30-22/h3-12H,13H2,1-2H3