methyl 4-chloranyl-2-[2-(4-phenylbutylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[2-(4-phenylbutylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[2-(4-phenylbutylsulfanyl)acetyl]amino]benzoate CAS Name: 4-chloro-2-[[1-oxo-2-(4-phenylbutylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[2-(4-phenylbutylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-(4-phenylbutylthio)acetyl]amino]benzoic acid methyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CSCCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CSCCCCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClNO3S/c1-25-20(24)17-11-10-16(21)13-18(17)22-19(23)14-26-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14H2,1H3,(H,22,23)