methyl 4-methyl-3-(2-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-phenylsulfanylpropanoylamino)benzoate Openeye Name: methyl 4-methyl-3-(2-phenylsulfanylpropanoylamino)benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(phenylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(2-phenylsulfanylpropanoylamino)benzoate Traditional Name: 4-methyl-3-[2-(phenylthio)propanoylamino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)SC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-12-9-10-14(18(21)22-3)11-16(12)19-17(20)13(2)23-15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,19,20)