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

Systemtic Name: ethyl 2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-3-(3-ethylphenyl)-2-methyl-propanoate Openeye Name: ethyl 3-(3-ethylphenyl)-2-methyl-2-(4-thiochroman-4-ylphenoxy)propanoate CAS Name: 2-[4-(3,4-dihydro-2H-1-benzothiopyran-4-yl)phenoxy]-3-(3-ethylphenyl)-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-3-(3-ethylphenyl)-2-methylpropanoate Traditional Name: 3-(3-ethylphenyl)-2-methyl-2-(4-thiochroman-4-ylphenoxy)propionic acid ethyl ester Formula: C29H32O3S MolecularWeight: 460.62758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CC(C)(C(=O)OCC)OC2=CC=C(C=C2)C3CCSC4=CC=CC=C34

Isomeric SMILES

CCC1=CC(=CC=C1)CC(C)(C(=O)OCC)OC2=CC=C(C=C2)C3CCSC4=CC=CC=C34

InChI

InChI=1S/C29H32O3S/c1-4-21-9-8-10-22(19-21)20-29(3,28(30)31-5-2)32-24-15-13-23(14-16-24)25-17-18-33-27-12-7-6-11-26(25)27/h6-16,19,25H,4-5,17-18,20H2,1-3H3