(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (6,7-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 (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-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-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H17ClO5S MolecularWeight: 404.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H17ClO5S/c1-11-7-14-13(9-20(24)26-16(14)8-12(11)2)10-25-19(23)6-3-15(22)17-4-5-18(21)27-17/h4-5,7-9H,3,6,10H2,1-2H3