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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H16ClNO5S MolecularWeight: 441.88414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC)/C#N

InChI

InChI=1S/C22H16ClNO5S/c1-3-28-21(25)14(12-24)10-13-8-9-16(17(11-13)27-2)29-22(26)20-19(23)15-6-4-5-7-18(15)30-20/h4-11H,3H2,1-2H3/b14-10+