methyl 7-[5-[5-(3-chloranyl-1-benzothiophen-2-yl)-3-oxidanyl-pentyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]hept-5-ynoate

Systemtic Name: methyl 7-[5-[5-(3-chloranyl-1-benzothiophen-2-yl)-3-oxidanyl-pentyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]hept-5-ynoate Openeye Name: methyl 7-[5-[5-(3-chlorobenzothiophen-2-yl)-3-hydroxy-pentyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-ynoate CAS Name: 7-[5-[5-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypentyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[5-[5-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypentyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]hept-5-ynoate Traditional Name: 7-[5-[5-(3-chlorobenzothiophen-2-yl)-3-hydroxy-pentyl]-4-hydroxy-2-keto-3,3-dimethyl-cyclopentyl]hept-5-ynoic acid methyl ester Formula: C28H35ClO5S MolecularWeight: 519.0925

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C1=O)CC#CCCCC(=O)OC)CCC(CCC2=C(C3=CC=CC=C3S2)Cl)O)O)C

Isomeric SMILES

CC1(C(C(C(C1=O)CC#CCCCC(=O)OC)CCC(CCC2=C(C3=CC=CC=C3S2)Cl)O)O)C

InChI

InChI=1S/C28H35ClO5S/c1-28(2)26(32)19(10-6-4-5-7-13-24(31)34-3)20(27(28)33)16-14-18(30)15-17-23-25(29)21-11-8-9-12-22(21)35-23/h8-9,11-12,18-20,27,30,33H,5,7,10,13-17H2,1-3H3