naphthalen-2-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: naphthalen-2-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 2-naphthyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid 2-naphthyl ester Formula: C26H24O3S MolecularWeight: 416.53196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H24O3S/c27-26(28-20-15-14-18-8-4-5-9-19(18)16-20)25-23(17-30-21-10-2-1-3-11-21)22-12-6-7-13-24(22)29-25/h4-9,12-16,21H,1-3,10-11,17H2