1-[2-[4-(7-methoxy-3-phenyl-1H-isothiochromen-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride

Systemtic Name: 1-[2-[4-(7-methoxy-3-phenyl-1H-isothiochromen-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride Openeye Name: 1-[2-[4-(7-methoxy-3-phenyl-1H-isothiochromen-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride CAS Name: 1-[2-[4-(7-methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride IUPAC Name: 1-[2-[4-(7-methoxy-3-phenyl-1H-isothiochromen-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride Traditional Name: 1-[2-[4-(7-methoxy-3-phenyl-1H-isothiochromen-4-yl)phenoxy]ethyl]pyrrolidine hydrochloride Formula: C28H30ClNO2S MolecularWeight: 480.0613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(SC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(SC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5.Cl

InChI

InChI=1S/C28H29NO2S.ClH/c1-30-25-13-14-26-23(19-25)20-32-28(22-7-3-2-4-8-22)27(26)21-9-11-24(12-10-21)31-18-17-29-15-5-6-16-29;/h2-4,7-14,19H,5-6,15-18,20H2,1H3;1H