2-[3-chloranyl-4-[3-[2-(cyclopropylmethyl)-3-oxidanyl-propanoyl]phenoxy]-3-propyl-2H-thiophen-2-yl]ethanoate

Systemtic Name: 2-[3-chloranyl-4-[3-[2-(cyclopropylmethyl)-3-oxidanyl-propanoyl]phenoxy]-3-propyl-2H-thiophen-2-yl]ethanoate Openeye Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxy-propanoyl]phenoxy]-3-propyl-2H-thiophen-2-yl]acetate CAS Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxy-1-oxopropyl]phenoxy]-3-propyl-2H-thiophen-2-yl]acetate IUPAC Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxypropanoyl]phenoxy]-3-propyl-2H-thiophen-2-yl]acetate Traditional Name: 2-[3-chloro-4-[3-[2-(cyclopropylmethyl)-3-hydroxy-propanoyl]phenoxy]-3-propyl-2H-thiophen-2-yl]acetate Formula: C22H26ClO5S- MolecularWeight: 437.95684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(SC=C1OC2=CC=CC(=C2)C(=O)C(CC3CC3)CO)CC(=O)[O-])Cl

Isomeric SMILES

CCCC1(C(SC=C1OC2=CC=CC(=C2)C(=O)C(CC3CC3)CO)CC(=O)[O-])Cl

InChI

InChI=1S/C22H27ClO5S/c1-2-8-22(23)18(13-29-19(22)11-20(25)26)28-17-5-3-4-15(10-17)21(27)16(12-24)9-14-6-7-14/h3-5,10,13-14,16,19,24H,2,6-9,11-12H2,1H3,(H,25,26)/p-1