[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-chloro-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-5-methoxy-1-benzothiophene-2-carboxylic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-5-methoxy-benzothiophene-2-carboxylic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H15ClN2O5S MolecularWeight: 442.8722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OC3=C(C=C(C=C3)C=C(C#N)C(=O)N)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C21H15ClN2O5S/c1-27-13-4-6-17-14(9-13)18(22)19(30-17)21(26)29-15-5-3-11(8-16(15)28-2)7-12(10-23)20(24)25/h3-9H,1-2H3,(H2,24,25)/b12-7+