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

Systemtic Name: [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H20N2O6S MolecularWeight: 476.5011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C25H20N2O6S/c1-2-30-21-13-16(5-7-20(21)33-25(29)23-4-3-11-34-23)12-17(15-26)24(28)27-18-6-8-19-22(14-18)32-10-9-31-19/h3-8,11-14H,2,9-10H2,1H3,(H,27,28)/b17-12-