(3aR,7S,7aS)-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-ethenyl-7-[5-(hydroxymethyl)furan-2-yl]-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione

Systemtic Name: (3aR,7S,7aS)-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-ethenyl-7-[5-(hydroxymethyl)furan-2-yl]-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Openeye Name: (3aR,7S,7aS)-2-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-7-[5-(hydroxymethyl)-2-furyl]-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-dione CAS Name: (3aR,7S,7aS)-2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-ethenyl-7-[5-(hydroxymethyl)-2-furanyl]-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione IUPAC Name: (3aR,7S,7aS)-2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-ethenyl-7-[5-(hydroxymethyl)furan-2-yl]-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Traditional Name: (3aR,7S,7aS)-2-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-7a-methyl-7-(5-methylol-2-furyl)-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C29H26ClN3O4S MolecularWeight: 548.05244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC=C(C(C5(C4=O)C)C6=CC=C(O6)CO)C=C)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5CC=C([C@@H]([C@@]5(C4=O)C)C6=CC=C(O6)CO)C=C)C

InChI

InChI=1S/C29H26ClN3O4S/c1-5-16-6-9-20-27(35)33(28(36)29(20,3)25(16)22-10-8-18(14-34)37-22)24-13-21(31-32(24)4)26-15(2)19-12-17(30)7-11-23(19)38-26/h5-8,10-13,20,25,34H,1,9,14H2,2-4H3/t20-,25+,29+/m0/s1