methyl 4-[2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(1-naphthylamino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(1-naphthalenylamino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-2-(1-naphthylamino)ethyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC3=CC=CC=C32

InChI

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