[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-keto-ethyl] ester Formula: C29H23ClN2O6S MolecularWeight: 563.02072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=C(C=CC(=C3)SC)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=C(C=CC(=C3)SC)Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H23ClN2O6S/c1-35-19-8-4-17(5-9-19)26-23(15-31)28(38-27(26)18-6-10-20(36-2)11-7-18)32-25(33)16-37-29(34)22-14-21(39-3)12-13-24(22)30/h4-14H,16H2,1-3H3,(H,32,33)