[4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-indolin-1-yl-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]-2-ethoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-cyano-3-indolin-1-yl-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCC3=CC=CC=C32)OC(=O)C4=CC=CS4

InChI

InChI=1S/C25H20N2O4S/c1-2-30-22-15-17(9-10-21(22)31-25(29)23-8-5-13-32-23)14-19(16-26)24(28)27-12-11-18-6-3-4-7-20(18)27/h3-10,13-15H,2,11-12H2,1H3/b19-14+