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

Systemtic Name: (3aR,7S,7aS)-7-[2,3-bis(bromanyl)-5-methoxy-4-oxidanyl-phenyl]-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-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-(2,3-dibromo-4-hydroxy-5-methoxy-phenyl)-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]-7-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-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]-7-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-6-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-(2,3-dibromo-4-hydroxy-5-methoxy-phenyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C31H26Br2ClN3O4S MolecularWeight: 731.88184

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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(=C6Br)Br)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(=C6Br)Br)O)OC)C=C)C

InChI

InChI=1S/C31H26Br2ClN3O4S/c1-6-15-7-9-19-29(39)37(30(40)31(19,3)24(15)18-12-21(41-5)27(38)26(33)25(18)32)23-13-20(35-36(23)4)28-14(2)17-11-16(34)8-10-22(17)42-28/h6-8,10-13,19,24,38H,1,9H2,2-5H3/t19-,24+,31+/m0/s1