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

Systemtic Name: methyl 3-methyl-4-[2-(phenylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[(2-benzylsulfanylacetyl)amino]-3-methyl-benzoate CAS Name: 3-methyl-4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzylsulfanylacetyl)amino]-3-methylbenzoate Traditional Name: 4-[[2-(benzylthio)acetyl]amino]-3-methyl-benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-13-10-15(18(21)22-2)8-9-16(13)19-17(20)12-23-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,20)