ethyl 4-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H28N2O4S/c1-4-16-8-7-9-17(5-2)22(16)25-21(27)15-30-14-20(26)24-19-12-10-18(11-13-19)23(28)29-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,24,26)(H,25,27)