methyl 7-[(1R,4S,5R)-5-[(E)-4-(1-benzothiophen-2-yl)-3-oxidanyl-but-1-enyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]hept-5-ynoate

Systemtic Name: methyl 7-[(1R,4S,5R)-5-[(E)-4-(1-benzothiophen-2-yl)-3-oxidanyl-but-1-enyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]hept-5-ynoate Openeye Name: methyl 7-[(1R,4S,5R)-5-[(E)-4-(benzothiophen-2-yl)-3-hydroxy-but-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentyl]hept-5-ynoate CAS Name: 7-[(1R,4S,5R)-5-[(E)-4-(1-benzothiophen-2-yl)-3-hydroxybut-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[(1R,4S,5R)-5-[(E)-4-(1-benzothiophen-2-yl)-3-hydroxybut-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]hept-5-ynoate Traditional Name: 7-[(1R,4S,5R)-5-[(E)-4-(benzothiophen-2-yl)-3-hydroxy-but-1-enyl]-4-hydroxy-2-keto-3,3-dimethyl-cyclopentyl]hept-5-ynoic acid methyl ester Formula: C27H32O5S MolecularWeight: 468.60498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C1=O)CC#CCCCC(=O)OC)C=CC(CC2=CC3=CC=CC=C3S2)O)O)C

Isomeric SMILES

CC1([C@H]([C@@H]([C@H](C1=O)CC#CCCCC(=O)OC)/C=C/C(CC2=CC3=CC=CC=C3S2)O)O)C

InChI

InChI=1S/C27H32O5S/c1-27(2)25(30)21(11-6-4-5-7-13-24(29)32-3)22(26(27)31)15-14-19(28)17-20-16-18-10-8-9-12-23(18)33-20/h8-10,12,14-16,19,21-22,26,28,31H,5,7,11,13,17H2,1-3H3/b15-14+/t19?,21-,22-,26+/m1/s1