ethyl 2-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)OCC

InChI

InChI=1S/C21H24N2O4S/c1-3-15-9-11-16(12-10-15)22-19(24)13-28-14-20(25)23-18-8-6-5-7-17(18)21(26)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)(H,23,25)