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

Systemtic Name: methyl 4-methyl-3-[2-(3-phenylpropylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(3-phenylpropylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(3-phenylpropylthio)acetyl]amino]benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCCCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO3S/c1-15-10-11-17(20(23)24-2)13-18(15)21-19(22)14-25-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,22)