(3aR,7R,7aS)-2-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-ethenyl-7a-methyl-7-(4-oxidanylnaphthalen-1-yl)-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-7a-methyl-7-(4-oxidanylnaphthalen-1-yl)-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-1-naphthyl)-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-1-naphthalenyl)-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-hydroxynaphthalen-1-yl)-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-1-naphthyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C34H28ClN3O3S MolecularWeight: 594.12242

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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(C7=CC=CC=C67)O)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(C7=CC=CC=C67)O)C=C)C

InChI

InChI=1S/C34H28ClN3O3S/c1-5-19-10-13-25-32(40)38(29-17-26(36-37(29)4)31-18(2)24-16-20(35)11-15-28(24)42-31)33(41)34(25,3)30(19)23-12-14-27(39)22-9-7-6-8-21(22)23/h5-12,14-17,25,30,39H,1,13H2,2-4H3/t25-,30+,34+/m0/s1