(2-phenoxyphenyl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-phenoxyphenyl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (2-phenoxyphenyl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (2-phenoxyphenyl)methyl ester IUPAC Name: (2-phenoxyphenyl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (2-phenoxybenzyl) ester Formula: C21H17ClO4S MolecularWeight: 400.87528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H17ClO4S/c22-20-12-11-19(27-20)17(23)10-13-21(24)25-14-15-6-4-5-9-18(15)26-16-7-2-1-3-8-16/h1-9,11-12H,10,13-14H2