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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-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-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-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-(2-furfurylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H19ClN2O6S MolecularWeight: 522.95686

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)NCC4=CC=CO4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C(=O)NCC4=CC=CO4)OC

InChI

InChI=1S/C26H19ClN2O6S/c1-32-17-6-8-22-19(12-17)23(27)24(36-22)26(31)35-20-7-5-15(11-21(20)33-2)10-16(13-28)25(30)29-14-18-4-3-9-34-18/h3-12H,14H2,1-2H3,(H,29,30)/b16-10+