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

Systemtic Name: ethyl 4-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

InChI

InChI=1S/C21H22N2O4S/c1-2-27-21(26)14-7-9-16(10-8-14)23-20(25)17-5-3-4-6-18(17)28-13-19(24)22-15-11-12-15/h3-10,15H,2,11-13H2,1H3,(H,22,24)(H,23,25)