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

Systemtic Name: methyl 2-[2-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[2-keto-2-(2-naphthylamino)ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSCC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H20N2O4S/c1-28-22(27)18-8-4-5-9-19(18)24-21(26)14-29-13-20(25)23-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13-14H2,1H3,(H,23,25)(H,24,26)