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

Systemtic Name: propyl 3-[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)CC

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)CC

InChI

InChI=1S/C22H26N2O4S/c1-3-12-28-22(27)17-6-5-7-19(13-17)24-21(26)15-29-14-20(25)23-18-10-8-16(4-2)9-11-18/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,25)(H,24,26)