[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)C1=CC=C(S1)CNC(=O)C)OC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H20N2O4S/c1-13(20(25)18-9-8-17(27-18)12-22-14(2)23)26-19(24)10-7-15-3-5-16(11-21)6-4-15/h3-6,8-9,13H,7,10,12H2,1-2H3,(H,22,23)