[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H19NO4S/c1-29-18-7-4-6-17(12-18)24-21(25)14-28-22(26)11-16-13-27-20-10-9-15-5-2-3-8-19(15)23(16)20/h2-10,12-13H,11,14H2,1H3,(H,24,25)