ethyl 3-[4-[2-(9-acetamidothioxanthen-9-yl)ethyl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[2-(9-acetamidothioxanthen-9-yl)ethyl]phenyl]propanoate Openeye Name: ethyl 3-[4-[2-(9-acetamidothioxanthen-9-yl)ethyl]phenyl]propanoate CAS Name: 3-[4-[2-(9-acetamido-9-thioxanthenyl)ethyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(9-acetamidothioxanthen-9-yl)ethyl]phenyl]propanoate Traditional Name: 3-[4-[2-(9-acetamidothioxanthen-9-yl)ethyl]phenyl]propionic acid ethyl ester Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)CCC2(C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)CCC2(C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C

InChI

InChI=1S/C28H29NO3S/c1-3-32-27(31)17-16-21-12-14-22(15-13-21)18-19-28(29-20(2)30)23-8-4-6-10-25(23)33-26-11-7-5-9-24(26)28/h4-15H,3,16-19H2,1-2H3,(H,29,30)