[4-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(2-thienylmethylamino)prop-1-enyl]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-keto-3-(2-thenylamino)prop-1-enyl]phenyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CS3

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H22N2O3S/c23-14-18(21(25)24-15-20-7-4-12-28-20)13-16-8-10-19(11-9-16)27-22(26)17-5-2-1-3-6-17/h4,7-13,17H,1-3,5-6,15H2,(H,24,25)/b18-13+