[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H23N3O3S/c1-2-14-5-6-16-15(11-14)12-17(26-16)19(24)25-13-18(23)22(9-3-7-20)10-4-8-21/h12,14H,2-6,9-11,13H2,1H3