methyl 4-[[2-[(3-cyanophenyl)methylsulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-cyanophenyl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-cyanophenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-cyanobenzyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H18N2O3S/c1-24-19(23)17-7-5-14(6-8-17)11-21-18(22)13-25-12-16-4-2-3-15(9-16)10-20/h2-9H,11-13H2,1H3,(H,21,22)