methyl 2-methyl-5-[[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[2-oxo-2-(4-phenylanilino)ethyl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[[2-oxo-2-(4-phenylanilino)ethyl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[2-oxo-2-(4-phenylanilino)ethyl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 5-[[[2-keto-2-(4-phenylanilino)ethyl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21NO4S/c1-15-20(22(25)26-2)12-19(27-15)13-28-14-21(24)23-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,24)