[4-[6-acetyloxy-3-(4-methylphenyl)carbonyl-1-benzothiophen-2-yl]phenyl] ethanoate

Systemtic Name: [4-[6-acetyloxy-3-(4-methylphenyl)carbonyl-1-benzothiophen-2-yl]phenyl] ethanoate Openeye Name: [4-[6-acetoxy-3-(4-methylbenzoyl)benzothiophen-2-yl]phenyl] acetate CAS Name: acetic acid [4-[6-acetyloxy-3-[(4-methylphenyl)-oxomethyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-acetyloxy-3-(4-methylbenzoyl)-1-benzothiophen-2-yl]phenyl] acetate Traditional Name: acetic acid [4-(6-acetoxy-3-p-toluoyl-benzothiophen-2-yl)phenyl] ester Formula: C26H20O5S MolecularWeight: 444.499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC(=O)C)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC(=O)C)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C26H20O5S/c1-15-4-6-18(7-5-15)25(29)24-22-13-12-21(31-17(3)28)14-23(22)32-26(24)19-8-10-20(11-9-19)30-16(2)27/h4-14H,1-3H3