phenethyl 2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]ethanoate

Systemtic Name: phenethyl 2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]ethanoate Openeye Name: phenethyl 2-(4-thiochroman-4-ylphenoxy)acetate CAS Name: 2-[4-(3,4-dihydro-2H-1-benzothiopyran-4-yl)phenoxy]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]acetate Traditional Name: 2-(4-thiochroman-4-ylphenoxy)acetic acid phenethyl ester Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1C3=CC=C(C=C3)OCC(=O)OCCC4=CC=CC=C4

Isomeric SMILES

C1CSC2=CC=CC=C2C1C3=CC=C(C=C3)OCC(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H24O3S/c26-25(27-16-14-19-6-2-1-3-7-19)18-28-21-12-10-20(11-13-21)22-15-17-29-24-9-5-4-8-23(22)24/h1-13,22H,14-18H2