[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC2=C(S1)CCCC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC2=C(S1)CCCC2)/N

InChI

InChI=1S/C15H16N2O3S/c1-9(17)11(7-16)12(18)8-20-15(19)14-6-10-4-2-3-5-13(10)21-14/h6H,2-5,8,17H2,1H3/b11-9+