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

Systemtic Name: methyl 4-[2-(3-phenylpropylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-phenylpropylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-phenylpropylthio)acetyl]amino]benzoic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCCCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-23-19(22)16-9-11-17(12-10-16)20-18(21)14-24-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,21)