methyl 5-chloranyl-2-[(E)-3-(2-methanoylthiophen-3-yl)-3-methyl-but-1-enyl]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(E)-3-(2-methanoylthiophen-3-yl)-3-methyl-but-1-enyl]benzoate Openeye Name: methyl 5-chloro-2-[(E)-3-(2-formyl-3-thienyl)-3-methyl-but-1-enyl]benzoate CAS Name: 5-chloro-2-[(E)-3-(2-formyl-3-thiophenyl)-3-methylbut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(E)-3-(2-formylthiophen-3-yl)-3-methylbut-1-enyl]benzoate Traditional Name: 5-chloro-2-[(E)-3-(2-formyl-3-thienyl)-3-methyl-but-1-enyl]benzoic acid methyl ester Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=C(C=C(C=C1)Cl)C(=O)OC)C2=C(SC=C2)C=O

Isomeric SMILES

CC(C)(/C=C/C1=C(C=C(C=C1)Cl)C(=O)OC)C2=C(SC=C2)C=O

InChI

InChI=1S/C18H17ClO3S/c1-18(2,15-7-9-23-16(15)11-20)8-6-12-4-5-13(19)10-14(12)17(21)22-3/h4-11H,1-3H3/b8-6+