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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

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