N-[(4S,5S)-2,2-dimethyl-4-(4-methylsulfanylphenyl)-1,3-dioxan-5-yl]-2-methyl-benzamide

Systemtic Name: N-[(4S,5S)-2,2-dimethyl-4-(4-methylsulfanylphenyl)-1,3-dioxan-5-yl]-2-methyl-benzamide Openeye Name: N-[(4S,5S)-2,2-dimethyl-4-(4-methylsulfanylphenyl)-1,3-dioxan-5-yl]-2-methyl-benzamide CAS Name: N-[(4S,5S)-2,2-dimethyl-4-[4-(methylthio)phenyl]-1,3-dioxan-5-yl]-2-methylbenzamide IUPAC Name: N-[(4S,5S)-2,2-dimethyl-4-(4-methylsulfanylphenyl)-1,3-dioxan-5-yl]-2-methylbenzamide Traditional Name: N-[(4S,5S)-2,2-dimethyl-4-[4-(methylthio)phenyl]-1,3-dioxan-5-yl]-2-methyl-benzamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2COC(OC2C3=CC=C(C=C3)SC)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@H]2COC(O[C@H]2C3=CC=C(C=C3)SC)(C)C

InChI

InChI=1S/C21H25NO3S/c1-14-7-5-6-8-17(14)20(23)22-18-13-24-21(2,3)25-19(18)15-9-11-16(26-4)12-10-15/h5-12,18-19H,13H2,1-4H3,(H,22,23)/t18-,19-/m0/s1