methyl 5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxymethyl]furan-2-carboxylate CAS Name: 5-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxymethyl]furan-2-carboxylate Traditional Name: 5-[4-(1,3-benzothiazol-2-ylthio)butanoyloxymethyl]furan-2-carboxylic acid methyl ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO5S2/c1-22-17(21)14-9-8-12(24-14)11-23-16(20)7-4-10-25-18-19-13-5-2-3-6-15(13)26-18/h2-3,5-6,8-9H,4,7,10-11H2,1H3