[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-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] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H11ClN2O3S MolecularWeight: 334.77744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C(C2=CC=CC=C2S1)Cl)/N

InChI

InChI=1S/C15H11ClN2O3S/c1-8(18)10(6-17)11(19)7-21-15(20)14-13(16)9-4-2-3-5-12(9)22-14/h2-5H,7,18H2,1H3/b10-8+