(1R,3aR,4S,7aR)-4-methyl-1-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1,2-benzothiazol-3-one

Systemtic Name: (1R,3aR,4S,7aR)-4-methyl-1-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1,2-benzothiazol-3-one Openeye Name: (1R,3aR,4S,7aR)-4-methyl-1-(p-tolyl)-3a,4,7,7a-tetrahydro-1,2-benzothiazol-3-one CAS Name: (1R,3aR,4S,7aR)-4-methyl-1-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1,2-benzothiazol-3-one IUPAC Name: (1R,3aR,4S,7aR)-4-methyl-1-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1,2-benzothiazol-3-one Traditional Name: (1R,3aR,4S,7aR)-4-methyl-1-(p-tolyl)-3a,4,7,7a-tetrahydro-1,2-benzothiazol-3-one Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1C(=O)N=S2C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1C=CC[C@@H]2[C@H]1C(=O)N=[S@]2C3=CC=C(C=C3)C

InChI

InChI=1S/C15H17NOS/c1-10-6-8-12(9-7-10)18-13-5-3-4-11(2)14(13)15(17)16-18/h3-4,6-9,11,13-14H,5H2,1-2H3/t11-,13+,14-,18-/m0/s1