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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-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-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-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-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H21ClN2O6S MolecularWeight: 500.95134

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)Cl)OC)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=C(C3=C(S2)C=CC(=C3)OC)Cl)OC)/C#N

InChI

InChI=1S/C24H21ClN2O6S/c1-30-9-8-27-23(28)15(13-26)10-14-4-6-18(19(11-14)32-3)33-24(29)22-21(25)17-12-16(31-2)5-7-20(17)34-22/h4-7,10-12H,8-9H2,1-3H3,(H,27,28)/b15-10+