[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C24H18N2O6S/c1-29-20-12-15(4-6-19(20)32-24(28)22-3-2-10-33-22)11-16(14-25)23(27)26-17-5-7-18-21(13-17)31-9-8-30-18/h2-7,10-13H,8-9H2,1H3,(H,26,27)/b16-11+