1,3-benzodioxol-5-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid 1,3-benzodioxol-5-yl ester Formula: C23H22O5S MolecularWeight: 410.48278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22O5S/c24-23(27-15-10-11-20-21(12-15)26-14-25-20)22-18(13-29-16-6-2-1-3-7-16)17-8-4-5-9-19(17)28-22/h4-5,8-12,16H,1-3,6-7,13-14H2