ethyl 3-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[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(=C2)C(=O)OCC

Isomeric SMILES

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

InChI

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