[2-[8-(methylcarbamoyl)naphthalen-1-yl]sulfanylphenyl]methyl 4-methylbenzoate

Systemtic Name: [2-[8-(methylcarbamoyl)naphthalen-1-yl]sulfanylphenyl]methyl 4-methylbenzoate Openeye Name: [2-[[8-(methylcarbamoyl)-1-naphthyl]sulfanyl]phenyl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[[8-(methylcarbamoyl)-1-naphthalenyl]thio]phenyl]methyl ester IUPAC Name: [2-[8-(methylcarbamoyl)naphthalen-1-yl]sulfanylphenyl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[[8-(methylcarbamoyl)-1-naphthyl]thio]benzyl] ester Formula: C27H23NO3S MolecularWeight: 441.54142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2SC3=CC=CC4=C3C(=CC=C4)C(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2SC3=CC=CC4=C3C(=CC=C4)C(=O)NC

InChI

InChI=1S/C27H23NO3S/c1-18-13-15-20(16-14-18)27(30)31-17-21-7-3-4-11-23(21)32-24-12-6-9-19-8-5-10-22(25(19)24)26(29)28-2/h3-16H,17H2,1-2H3,(H,28,29)