[4-(4-cyanophenyl)phenyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)C(=O)CCC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15NO3S/c22-14-15-3-5-16(6-4-15)17-7-9-18(10-8-17)25-21(24)12-11-19(23)20-2-1-13-26-20/h1-10,13H,11-12H2