(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propan-1-ol

Systemtic Name: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propan-1-ol Openeye Name: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propan-1-ol CAS Name: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-[4-(methylthio)phenyl]-1-pyrrolyl]ethoxy]phenyl]-1-propanol IUPAC Name: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propan-1-ol Traditional Name: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-[4-(methylthio)phenyl]pyrrol-1-yl]ethoxy]phenyl]propan-1-ol Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)CO

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)CO

InChI

InChI=1S/C25H31NO3S/c1-4-28-23(18-27)17-20-6-10-22(11-7-20)29-16-15-26-19(2)5-14-25(26)21-8-12-24(30-3)13-9-21/h5-14,23,27H,4,15-18H2,1-3H3/t23-/m0/s1