methyl (3aS,4S,7aS)-2,2-dimethyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aS,4S,7aS)-2,2-dimethyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aS,4S,7aS)-2,2-dimethyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aS,4S,7aS)-2,2-dimethyl-4-(phenylthio)-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4S,7aS)-2,2-dimethyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aS,4S,7aS)-2,2-dimethyl-4-(phenylthio)-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC=C(C(C2O1)SC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1(O[C@H]2CC=C([C@@H]([C@H]2O1)SC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C17H20O4S/c1-17(2)20-13-10-9-12(16(18)19-3)15(14(13)21-17)22-11-7-5-4-6-8-11/h4-9,13-15H,10H2,1-3H3/t13-,14-,15-/m0/s1