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

Systemtic Name: ethyl 4-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-2-(p-phenetidino)ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H24N2O5S/c1-3-27-18-11-9-17(10-12-18)23-20(25)14-29-13-19(24)22-16-7-5-15(6-8-16)21(26)28-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)(H,23,25)