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

Systemtic Name: methyl 4-methyl-3-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: methyl 4-methyl-3-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 4-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=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=CC=C2

InChI

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