ethyl 3-[2-[3-(oxan-2-yloxy)propyl]-3-phenylsulfanyl-pyrrol-1-yl]butanoate

Systemtic Name: ethyl 3-[2-[3-(oxan-2-yloxy)propyl]-3-phenylsulfanyl-pyrrol-1-yl]butanoate Openeye Name: ethyl 3-[3-phenylsulfanyl-2-(3-tetrahydropyran-2-yloxypropyl)pyrrol-1-yl]butanoate CAS Name: 3-[2-[3-(2-oxanyloxy)propyl]-3-(phenylthio)-1-pyrrolyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[3-(oxan-2-yloxy)propyl]-3-phenylsulfanylpyrrol-1-yl]butanoate Traditional Name: 3-[3-(phenylthio)-2-(3-tetrahydropyran-2-yloxypropyl)pyrrol-1-yl]butyric acid ethyl ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1C=CC(=C1CCCOC2CCCCO2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)N1C=CC(=C1CCCOC2CCCCO2)SC3=CC=CC=C3

InChI

InChI=1S/C24H33NO4S/c1-3-27-23(26)18-19(2)25-15-14-22(30-20-10-5-4-6-11-20)21(25)12-9-17-29-24-13-7-8-16-28-24/h4-6,10-11,14-15,19,24H,3,7-9,12-13,16-18H2,1-2H3