[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O4S/c23-15-8-6-14(7-9-15)18(26)10-11-21(28)29-13-20(27)25-22-17(12-24)16-4-2-1-3-5-19(16)30-22/h6-9H,1-5,10-11,13H2,(H,25,27)