[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2)C4(CCCCC4)C#N

InChI

InChI=1S/C22H22N2O4S/c1-24(22(14-23)9-5-2-6-10-22)19(25)13-28-21(26)18-11-15-12-27-17-8-4-3-7-16(17)20(15)29-18/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3