ethyl 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-2-methyl-propanoate Openeye Name: ethyl 3-(4-chlorophenyl)-2-methyl-2-(4-thiochroman-4-ylphenoxy)propanoate CAS Name: 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-1-benzothiopyran-4-yl)phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-2-methylpropanoate Traditional Name: 3-(4-chlorophenyl)-2-methyl-2-(4-thiochroman-4-ylphenoxy)propionic acid ethyl ester Formula: C27H27ClO3S MolecularWeight: 467.01948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)C3CCSC4=CC=CC=C34

Isomeric SMILES

CCOC(=O)C(C)(CC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)C3CCSC4=CC=CC=C34

InChI

InChI=1S/C27H27ClO3S/c1-3-30-26(29)27(2,18-19-8-12-21(28)13-9-19)31-22-14-10-20(11-15-22)23-16-17-32-25-7-5-4-6-24(23)25/h4-15,23H,3,16-18H2,1-2H3