(3aR,7R,7aS)-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-7-(3,5-dimethyl-4-oxidanyl-phenyl)-6-ethenyl-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione

Systemtic Name: (3aR,7R,7aS)-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-7-(3,5-dimethyl-4-oxidanyl-phenyl)-6-ethenyl-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Openeye Name: (3aR,7R,7aS)-2-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-7-(4-hydroxy-3,5-dimethyl-phenyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-dione CAS Name: (3aR,7R,7aS)-2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-ethenyl-7-(4-hydroxy-3,5-dimethylphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione IUPAC Name: (3aR,7R,7aS)-2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-ethenyl-7-(4-hydroxy-3,5-dimethylphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Traditional Name: (3aR,7R,7aS)-2-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-7-(4-hydroxy-3,5-dimethyl-phenyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C32H30ClN3O3S MolecularWeight: 572.1169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2C(=CCC3C2(C(=O)N(C3=O)C4=CC(=NN4C)C5=C(C6=C(S5)C=CC(=C6)Cl)C)C)C=C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)N(C3=O)C4=CC(=NN4C)C5=C(C6=C(S5)C=CC(=C6)Cl)C)C)C=C

InChI

InChI=1S/C32H30ClN3O3S/c1-7-19-8-10-23-30(38)36(31(39)32(23,5)27(19)20-12-16(2)28(37)17(3)13-20)26-15-24(34-35(26)6)29-18(4)22-14-21(33)9-11-25(22)40-29/h7-9,11-15,23,27,37H,1,10H2,2-6H3/t23-,27+,32+/m0/s1