ethyl 4-chloranyl-6-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-6-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)CSC3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO4S/c1-4-26-21(25)18-16(12-28-14-8-6-5-7-9-14)27-15-10-13(11-23(2)3)20(24)19(22)17(15)18/h5-10,24H,4,11-12H2,1-3H3