(3aS,7aR)-4-heptyl-2-methyl-6-thiophen-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aR)-4-heptyl-2-methyl-6-thiophen-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aR)-4-heptyl-2-methyl-6-(2-thienyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aR)-4-heptyl-2-methyl-6-thiophen-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aR)-4-heptyl-2-methyl-6-thiophen-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aR)-4-heptyl-2-methyl-6-(2-thienyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H27NO2S MolecularWeight: 345.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C=C(CC2C1C(=O)N(C2=O)C)C3=CC=CS3

Isomeric SMILES

CCCCCCCC1C=C(C[C@@H]2[C@H]1C(=O)N(C2=O)C)C3=CC=CS3

InChI

InChI=1S/C20H27NO2S/c1-3-4-5-6-7-9-14-12-15(17-10-8-11-24-17)13-16-18(14)20(23)21(2)19(16)22/h8,10-12,14,16,18H,3-7,9,13H2,1-2H3/t14?,16-,18+/m1/s1