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

Systemtic Name: 3-cyanopropyl 3-[2-[2-(diethylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: 3-cyanopropyl 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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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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)OCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-3-24(4-2)20-23-18(26)16(29-20)13-17(25)22-15-9-7-8-14(12-15)19(27)28-11-6-5-10-21/h7-9,12,16H,3-6,11,13H2,1-2H3,(H,22,25)