(E)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(5-bromanyl-4-methyl-thiophen-2-yl)-3-oxidanyl-pent-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]-N-ethylsulfonyl-hept-5-enamide

Systemtic Name: (E)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(5-bromanyl-4-methyl-thiophen-2-yl)-3-oxidanyl-pent-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]-N-ethylsulfonyl-hept-5-enamide Openeye Name: (E)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(5-bromo-4-methyl-2-thienyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl]-N-ethylsulfonyl-hept-5-enamide CAS Name: (E)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(5-bromo-4-methyl-2-thiophenyl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-ethylsulfonyl-5-heptenamide IUPAC Name: (E)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(5-bromo-4-methylthiophen-2-yl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-ethylsulfonylhept-5-enamide Traditional Name: (E)-7-[(1R,2R,3R,5S)-2-[(E,3S)-5-(5-bromo-4-methyl-2-thienyl)-3-hydroxy-pent-1-enyl]-3,5-dihydroxy-cyclopentyl]-N-esyl-hept-5-enamide Formula: C24H36BrNO6S2 MolecularWeight: 578.57974

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC(=C(S2)Br)C)O)O)O

Isomeric SMILES

CCS(=O)(=O)NC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC(=C(S2)Br)C)O)O)O

InChI

InChI=1S/C24H36BrNO6S2/c1-3-34(31,32)26-23(30)9-7-5-4-6-8-19-20(22(29)15-21(19)28)13-11-17(27)10-12-18-14-16(2)24(25)33-18/h4,6,11,13-14,17,19-22,27-29H,3,5,7-10,12,15H2,1-2H3,(H,26,30)/b6-4+,13-11+/t17-,19+,20+,21-,22+/m0/s1