methyl 3-[4-[3-(4-cyanophenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfanyl-phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-(4-cyanophenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methylsulfanyl-phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-cyanophenyl)-2-oxo-imidazolidin-1-yl]-3-methylsulfanyl-phenyl]propanoate CAS Name: 3-[4-[3-(4-cyanophenyl)-2-oxo-1-imidazolidinyl]-3-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-cyanophenyl)-2-oxoimidazolidin-1-yl]-3-methylsulfanylphenyl]propanoate Traditional Name: 3-[4-[3-(4-cyanophenyl)-2-keto-imidazolidin-1-yl]-3-(methylthio)phenyl]propionic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C#N)SC

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C#N)SC

InChI

InChI=1S/C21H21N3O3S/c1-27-20(25)10-6-15-5-9-18(19(13-15)28-2)24-12-11-23(21(24)26)17-7-3-16(14-22)4-8-17/h3-5,7-9,13H,6,10-12H2,1-2H3