ethyl 5-oxidanyl-4-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-oxidanyl-4-[(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylmethyl]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-[(2-anilino-2-oxo-ethyl)sulfanylmethyl]-5-hydroxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 4-[[(2-anilino-2-oxoethyl)thio]methyl]-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 4-[[(2-anilino-2-keto-ethyl)thio]methyl]-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CSCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CSCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO5S/c1-2-31-26(30)24-23-19(15-33-16-22(29)27-18-11-7-4-8-12-18)20(28)13-14-21(23)32-25(24)17-9-5-3-6-10-17/h3-14,28H,2,15-16H2,1H3,(H,27,29)