[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C24H28N2O4S/c1-24(15-25,16-11-12-16)26-21(27)13-29-23(28)22-19(14-31-17-7-3-2-4-8-17)18-9-5-6-10-20(18)30-22/h5-6,9-10,16-17H,2-4,7-8,11-14H2,1H3,(H,26,27)