methyl 4-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-naphthylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-naphthylmethylthio)acetyl]amino]benzoic acid methyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H19NO3S/c1-25-21(24)16-9-11-18(12-10-16)22-20(23)14-26-13-17-7-4-6-15-5-2-3-8-19(15)17/h2-12H,13-14H2,1H3,(H,22,23)