cyanomethyl 3-[2-[2-(diethylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate

Systemtic Name: cyanomethyl 3-[2-[2-(diethylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: cyanomethyl 3-[[2-[2-(diethylamino)-4-oxo-thiazol-5-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[2-(diethylamino)-4-oxo-5-thiazolyl]-1-oxoethyl]amino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[2-(diethylamino)-4-keto-2-thiazolin-5-yl]acetyl]amino]benzoic acid cyanomethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=O)C(S1)CC(=O)NC2=CC=CC(=C2)C(=O)OCC#N

Isomeric SMILES

CCN(CC)C1=NC(=O)C(S1)CC(=O)NC2=CC=CC(=C2)C(=O)OCC#N

InChI

InChI=1S/C18H20N4O4S/c1-3-22(4-2)18-21-16(24)14(27-18)11-15(23)20-13-7-5-6-12(10-13)17(25)26-9-8-19/h5-7,10,14H,3-4,9,11H2,1-2H3,(H,20,23)