[7-(2-diethylaminoethyl)-8-(hydroxymethyl)phenoxathiin-3-yl]methanol; N,N-diethyl-2-phenoxathiin-3-yl-ethanamine

Systemtic Name: [7-(2-diethylaminoethyl)-8-(hydroxymethyl)phenoxathiin-3-yl]methanol; N,N-diethyl-2-phenoxathiin-3-yl-ethanamine Openeye Name: [7-(2-diethylaminoethyl)-8-(hydroxymethyl)phenoxathiin-3-yl]methanol; N,N-diethyl-2-phenoxathiin-3-yl-ethanamine CAS Name: [7-(2-diethylaminoethyl)-8-(hydroxymethyl)-3-phenoxathiinyl]methanol; N,N-diethyl-2-(3-phenoxathiinyl)ethanamine IUPAC Name: [7-(2-diethylaminoethyl)-8-(hydroxymethyl)phenoxathiin-3-yl]methanol; N,N-diethyl-2-phenoxathiin-3-ylethanamine Traditional Name: [7-(2-diethylaminoethyl)-8-methylol-phenoxathiin-3-yl]methanol; diethyl(2-phenoxathiin-3-ylethyl)amine Formula: C38H46N2O4S2 MolecularWeight: 658.91284

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=CC2=C(C=C1)SC3=CC=CC=C3O2.CCN(CC)CCC1=CC2=C(C=C1CO)SC3=C(O2)C=C(C=C3)CO

Isomeric SMILES

CCN(CC)CCC1=CC2=C(C=C1)SC3=CC=CC=C3O2.CCN(CC)CCC1=CC2=C(C=C1CO)SC3=C(O2)C=C(C=C3)CO

InChI

InChI=1S/C20H25NO3S.C18H21NOS/c1-3-21(4-2)8-7-15-10-18-20(11-16(15)13-23)25-19-6-5-14(12-22)9-17(19)24-18;1-3-19(4-2)12-11-14-9-10-18-16(13-14)20-15-7-5-6-8-17(15)21-18/h5-6,9-11,22-23H,3-4,7-8,12-13H2,1-2H3;5-10,13H,3-4,11-12H2,1-2H3