(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H14ClFO4S MolecularWeight: 416.849863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl)C

InChI

InChI=1S/C21H14ClFO4S/c1-10-3-5-14-12(7-17(24)27-19(14)11(10)2)9-26-21(25)20-18(22)15-6-4-13(23)8-16(15)28-20/h3-8H,9H2,1-2H3