dimethyl (3aS,6R,7aR)-6-phenylsulfanyl-3-propan-2-yl-3a,6,7,7a-tetrahydroindene-1,1-dicarboxylate

Systemtic Name: dimethyl (3aS,6R,7aR)-6-phenylsulfanyl-3-propan-2-yl-3a,6,7,7a-tetrahydroindene-1,1-dicarboxylate Openeye Name: dimethyl (3aS,6R,7aR)-3-isopropyl-6-phenylsulfanyl-3a,6,7,7a-tetrahydroindene-1,1-dicarboxylate CAS Name: (3aS,6R,7aR)-6-(phenylthio)-3-propan-2-yl-3a,6,7,7a-tetrahydroindene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,6R,7aR)-6-phenylsulfanyl-3-propan-2-yl-3a,6,7,7a-tetrahydroindene-1,1-dicarboxylate Traditional Name: (3aS,6R,7aR)-3-isopropyl-6-(phenylthio)-3a,6,7,7a-tetrahydroindene-1,1-dicarboxylic acid dimethyl ester Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(C2C1C=CC(C2)SC3=CC=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C1=CC([C@H]2[C@@H]1C=C[C@@H](C2)SC3=CC=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H26O4S/c1-14(2)18-13-22(20(23)25-3,21(24)26-4)19-12-16(10-11-17(18)19)27-15-8-6-5-7-9-15/h5-11,13-14,16-17,19H,12H2,1-4H3/t16-,17+,19+/m0/s1