methyl 4-[(2-naphthalen-2-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-naphthalen-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[[2-(2-naphthylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2-naphthalenylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-naphthalen-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(2-naphthylthio)acetyl]amino]methyl]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)CNC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

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