ethylamino (E)-7-[5-[4-(1-benzothiophen-2-yl)-3-oxidanyl-butyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]hept-5-enoate

Systemtic Name: ethylamino (E)-7-[5-[4-(1-benzothiophen-2-yl)-3-oxidanyl-butyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: ethylamino (E)-7-[5-[4-(benzothiophen-2-yl)-3-hydroxy-butyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[5-[4-(1-benzothiophen-2-yl)-3-hydroxybutyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]-5-heptenoic acid ethylamino ester IUPAC Name: ethylamino (E)-7-[5-[4-(1-benzothiophen-2-yl)-3-hydroxybutyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[5-[4-(benzothiophen-2-yl)-3-hydroxy-butyl]-4-hydroxy-2-keto-3,3-dimethyl-cyclopentyl]hept-5-enoic acid ethylamino ester Formula: C28H39NO5S MolecularWeight: 501.67796

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Descriptors Computed from Structure

Canonical SMILES:

CCNOC(=O)CCCC=CCC1C(C(C(C1=O)(C)C)O)CCC(CC2=CC3=CC=CC=C3S2)O

Isomeric SMILES

CCNOC(=O)CCC/C=C/CC1C(C(C(C1=O)(C)C)O)CCC(CC2=CC3=CC=CC=C3S2)O

InChI

InChI=1S/C28H39NO5S/c1-4-29-34-25(31)14-8-6-5-7-12-22-23(27(33)28(2,3)26(22)32)16-15-20(30)18-21-17-19-11-9-10-13-24(19)35-21/h5,7,9-11,13,17,20,22-23,27,29-30,33H,4,6,8,12,14-16,18H2,1-3H3/b7-5+