(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-piperonyl-propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)S[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H21N3O3S/c1-11-12(2)16(8-21)20(23-13(11)3)27-14(4)19(24)22-9-15-5-6-17-18(7-15)26-10-25-17/h5-7,14H,9-10H2,1-4H3,(H,22,24)/t14-/m1/s1