methyl 4-(2-methyl-3-phenyl-phenyl)sulfanylbutanoate

Systemtic Name: methyl 4-(2-methyl-3-phenyl-phenyl)sulfanylbutanoate Openeye Name: methyl 4-(2-methyl-3-phenyl-phenyl)sulfanylbutanoate CAS Name: 4-[(2-methyl-3-phenylphenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(2-methyl-3-phenylphenyl)sulfanylbutanoate Traditional Name: 4-[(2-methyl-3-phenyl-phenyl)thio]butyric acid methyl ester Formula: C18H20O2S MolecularWeight: 300.4152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1SCCCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H20O2S/c1-14-16(15-8-4-3-5-9-15)10-6-11-17(14)21-13-7-12-18(19)20-2/h3-6,8-11H,7,12-13H2,1-2H3