(3aR,7R,7aS)-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-ethenyl-7-(3-methoxy-4-oxidanyl-phenyl)-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]-6-ethenyl-7-(3-methoxy-4-oxidanyl-phenyl)-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-methoxy-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-methoxyphenyl)-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-methoxyphenyl)-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-methoxy-phenyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C31H28ClN3O4S MolecularWeight: 574.08972

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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(C=C6)O)OC)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(C=C6)O)OC)C=C)C

InChI

InChI=1S/C31H28ClN3O4S/c1-6-17-7-10-21-29(37)35(30(38)31(21,3)27(17)18-8-11-23(36)24(13-18)39-5)26-15-22(33-34(26)4)28-16(2)20-14-19(32)9-12-25(20)40-28/h6-9,11-15,21,27,36H,1,10H2,2-5H3/t21-,27+,31+/m0/s1