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

Systemtic Name: ethyl 4-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-cumidino-2-keto-ethyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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