(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClO5S/c1-11-3-4-14-13(9-19(24)26-20(14)12(11)2)10-25-18(23)8-5-15(22)16-6-7-17(21)27-16/h3-4,6-7,9H,5,8,10H2,1-2H3