[2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[(3-cyano-4,5-diphenyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-3-(2-thenoylamino)benzoic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C31H20ClN3O5S MolecularWeight: 582.0256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C31H20ClN3O5S/c32-23-14-13-21(16-24(23)34-29(37)25-12-7-15-41-25)31(38)39-18-26(36)35-30-22(17-33)27(19-8-3-1-4-9-19)28(40-30)20-10-5-2-6-11-20/h1-16H,18H2,(H,34,37)(H,35,36)