methyl 2-chloranyl-5-[3-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 5-(3-benzylsulfanylpropanoylamino)-2-chloro-benzoate CAS Name: 2-chloro-5-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-(3-benzylsulfanylpropanoylamino)-2-chlorobenzoate Traditional Name: 5-[3-(benzylthio)propanoylamino]-2-chloro-benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-23-18(22)15-11-14(7-8-16(15)19)20-17(21)9-10-24-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)