(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2,4,6-trimethylphenyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(mesitylthio)propionamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H21NO3S/c1-11-7-12(2)18(13(3)8-11)24-14(4)19(21)20-15-5-6-16-17(9-15)23-10-22-16/h5-9,14H,10H2,1-4H3,(H,20,21)/t14-/m1/s1