methyl 4-chloranyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-[(2-benzylsulfanylacetyl)amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-benzylsulfanylacetyl)amino]-4-chlorobenzoate Traditional Name: 3-[[2-(benzylthio)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO3S/c1-22-17(21)13-7-8-14(18)15(9-13)19-16(20)11-23-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,20)