[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H20N2O5S/c1-14(24)16-6-7-19(27-2)17(9-16)12-29-13-21(26)28-11-20(25)23-18-5-3-4-15(8-18)10-22/h3-9H,11-13H2,1-2H3,(H,23,25)