methyl 5-[[4-cyano-3-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,2-thiazol-5-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-cyano-3-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,2-thiazol-5-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-cyano-3-[(5-methoxycarbonyl-2-furyl)methylsulfanyl]isothiazol-5-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-cyano-3-[(5-methoxycarbonyl-2-furanyl)methylthio]-5-isothiazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-cyano-3-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-1,2-thiazol-5-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[3-[(5-carbomethoxy-2-furyl)methylthio]-4-cyano-isothiazol-5-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H14N2O6S3 MolecularWeight: 450.50856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=C(C(=NS2)SCC3=CC=C(O3)C(=O)OC)C#N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=C(C(=NS2)SCC3=CC=C(O3)C(=O)OC)C#N

InChI

InChI=1S/C18H14N2O6S3/c1-23-16(21)13-5-3-10(25-13)8-27-15-12(7-19)18(29-20-15)28-9-11-4-6-14(26-11)17(22)24-2/h3-6H,8-9H2,1-2H3