ethyl 4-[[2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[oxo-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

InChI

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