(3-bromanyl-4-methoxy-phenyl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid (3-bromo-4-methoxy-benzyl) ester Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C18H19BrO4S/c1-11-8-14(12(2)24-11)16(20)5-7-18(21)23-10-13-4-6-17(22-3)15(19)9-13/h4,6,8-9H,5,7,10H2,1-3H3