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

Systemtic Name: ethyl 2,6-bis(dimethylaminomethyl)-5-oxidanyl-4-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-(phenylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 2,6-bis(dimethylaminomethyl)-5-hydroxy-4-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/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