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

Systemtic Name: ethyl 4-[2-[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(3-ethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(3-ethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(3-ethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(3-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(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

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

InChI

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