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

Systemtic Name: [4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-methoxy-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)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-methoxy-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)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H16ClNO6S MolecularWeight: 457.88354

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO6S/c1-27-14-5-7-18-15(10-14)19(23)20(31-18)22(26)30-16-6-4-12(9-17(16)28-2)8-13(11-24)21(25)29-3/h4-10H,1-3H3/b13-8+