[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H15ClO5 MolecularWeight: 370.7831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C20H15ClO5/c1-11-3-5-13(6-4-11)19(23)12(2)25-20(24)18-10-16(22)15-9-14(21)7-8-17(15)26-18/h3-10,12H,1-2H3/t12-/m0/s1