[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H20N4O3S/c1-10(2)4-7-17-14-18-11(9-22-14)13(20)21-8-12(19)16-6-3-5-15/h9-10H,3-4,6-8H2,1-2H3,(H,16,19)(H,17,18)