methyl 3-[[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(2-naphthylamino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(2-naphthalenylamino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-(2-naphthylamino)ethyl]thio]methyl]benzoic acid methyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

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