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

Systemtic Name: ethyl 4-(dimethylaminomethyl)-5-oxidanyl-2-[(phenylmethylsulfanyl)methyl]-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 2-(benzylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate hydrochloride CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylmethylthio)methyl]-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 2-[(benzylthio)methyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C22H26ClNO4S MolecularWeight: 435.96414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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