[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C14H15N5O4S/c1-10(20)17-14-18-11(9-24-14)13(22)23-8-12(21)19(6-2-4-15)7-3-5-16/h9H,2-3,6-8H2,1H3,(H,17,18,20)