ethyl 5-(dimethylaminomethyl)-4-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-(dimethylaminomethyl)-4-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-5-(dimethylaminomethyl)-4-hydroxy-benzofuran-3-carboxylate CAS Name: 5-(dimethylaminomethyl)-4-hydroxy-2-[(phenylmethylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-5-(dimethylaminomethyl)-4-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[(benzylthio)methyl]-5-(dimethylaminomethyl)-4-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)CN(C)C)O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)CN(C)C)O)CSCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S/c1-4-26-22(25)20-18(14-28-13-15-8-6-5-7-9-15)27-17-11-10-16(12-23(2)3)21(24)19(17)20/h5-11,24H,4,12-14H2,1-3H3