[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)N(CCC#N)CCC#N)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)N(CCC#N)CCC#N)NC

InChI

InChI=1S/C14H17N5O3S/c1-10-12(13(17-2)23-18-10)14(21)22-9-11(20)19(7-3-5-15)8-4-6-16/h17H,3-4,7-9H2,1-2H3