ethyl 2,6-bis(dimethylaminomethyl)-5-oxidanyl-4-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride

Systemtic Name: ethyl 2,6-bis(dimethylaminomethyl)-5-oxidanyl-4-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-(phenylsulfanylmethyl)benzofuran-3-carboxylate hydrochloride CAS Name: 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C24H31ClN2O4S MolecularWeight: 479.03194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S.ClH/c1-6-29-24(28)22-20(14-26(4)5)30-19-12-16(13-25(2)3)23(27)18(21(19)22)15-31-17-10-8-7-9-11-17;/h7-12,27H,6,13-15H2,1-5H3;1H