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

Systemtic Name: (3-cyanophenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (3-cyanophenyl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (3-cyanobenzyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H15NO3S/c1-12-5-7-16(22-12)15(19)6-8-17(20)21-11-14-4-2-3-13(9-14)10-18/h2-5,7,9H,6,8,11H2,1H3