[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C19H15NO6S MolecularWeight: 385.3905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO6S/c1-11-13-5-3-4-6-16(13)26-18(11)15(21)10-25-19(22)12-7-8-17(27-2)14(9-12)20(23)24/h3-9H,10H2,1-2H3