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

Systemtic Name: methyl 4-[2-[(3-cyanophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-cyanophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyanophenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-cyanophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyanobenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-23-18(22)15-5-7-16(8-6-15)20-17(21)12-24-11-14-4-2-3-13(9-14)10-19/h2-9H,11-12H2,1H3,(H,20,21)