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

Systemtic Name: ethyl 4-methyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 3-[(2-benzylsulfanylacetyl)amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-benzylsulfanylacetyl)amino]-4-methylbenzoate Traditional Name: 3-[[2-(benzylthio)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-3-23-19(22)16-10-9-14(2)17(11-16)20-18(21)13-24-12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,21)