(3aR,7S,7aS)-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-ethenyl-7-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-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-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-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-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-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-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-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-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-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]-7-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C33H30ClN3O4S MolecularWeight: 600.127

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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)C=CC6=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)C=CC6=CC(=C(C=C6)O)OC)C=C)C

InChI

InChI=1S/C33H30ClN3O4S/c1-6-20-9-12-24-31(39)37(32(40)33(24,3)23(20)11-7-19-8-13-26(38)27(15-19)41-5)29-17-25(35-36(29)4)30-18(2)22-16-21(34)10-14-28(22)42-30/h6-11,13-17,23-24,38H,1,12H2,2-5H3/t23-,24-,33-/m0/s1