(3-cyanophenyl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (3-cyanophenyl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (3-cyanobenzyl) ester Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CCC(=O)C2=CC=C(S2)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CCC(=O)C2=CC=C(S2)Cl)C#N

InChI

InChI=1S/C16H12ClNO3S/c17-15-6-5-14(22-15)13(19)4-7-16(20)21-10-12-3-1-2-11(8-12)9-18/h1-3,5-6,8H,4,7,10H2