[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C21H16O4S MolecularWeight: 364.41434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16O4S/c1-13-6-9-19(26-13)17(22)12-25-20(23)10-15-11-24-18-8-7-14-4-2-3-5-16(14)21(15)18/h2-9,11H,10,12H2,1H3