[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C16H19N3O3S/c1-3-13-10-14(23-12(13)2)16(21)22-11-15(20)19(8-4-6-17)9-5-7-18/h10H,3-5,8-9,11H2,1-2H3