methyl 4-[[5-[[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]carbamoyl]furan-2-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[5-[[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]carbamoyl]furan-2-yl]methoxy]benzoate Openeye Name: methyl 4-[[5-[[3-nitro-5-(p-tolylsulfanyl)phenyl]carbamoyl]-2-furyl]methoxy]benzoate CAS Name: 4-[[5-[[3-[(4-methylphenyl)thio]-5-nitroanilino]-oxomethyl]-2-furanyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]carbamoyl]furan-2-yl]methoxy]benzoate Traditional Name: 4-[[5-[[3-nitro-5-(p-tolylthio)phenyl]carbamoyl]-2-furyl]methoxy]benzoic acid methyl ester Formula: C27H22N2O7S MolecularWeight: 518.53778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H22N2O7S/c1-17-3-10-23(11-4-17)37-24-14-19(13-20(15-24)29(32)33)28-26(30)25-12-9-22(36-25)16-35-21-7-5-18(6-8-21)27(31)34-2/h3-15H,16H2,1-2H3,(H,28,30)