[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C26H28N2O7S MolecularWeight: 512.57472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O7S/c1-2-33-17-12-13-21(22(14-17)28(31)32)27-24(29)15-34-26(30)25-20(16-36-18-8-4-3-5-9-18)19-10-6-7-11-23(19)35-25/h6-7,10-14,18H,2-5,8-9,15-16H2,1H3,(H,27,29)