[4-[(E)-2-cyano-3-(octylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(octylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(octylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(octylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=CS2)OC)C#N

Isomeric SMILES

CCCCCCCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CS2)OC)/C#N

InChI

InChI=1S/C24H28N2O4S/c1-3-4-5-6-7-8-13-26-23(27)19(17-25)15-18-11-12-20(21(16-18)29-2)30-24(28)22-10-9-14-31-22/h9-12,14-16H,3-8,13H2,1-2H3,(H,26,27)/b19-15+