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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCSC2=CC=CC=C2)C(=O)OC

InChI

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