(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H21ClO4S MolecularWeight: 392.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCC(=O)C2=CC=C(S2)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCC(=O)C2=CC=C(S2)Cl)C

InChI

InChI=1S/C20H21ClO4S/c1-11-9-12(2)20(14(4)22)13(3)15(11)10-25-19(24)8-5-16(23)17-6-7-18(21)26-17/h6-7,9H,5,8,10H2,1-4H3