2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamide

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamide Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NCC2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC[C@H]2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C20H21N3O3S/c1-12-13(2)16(8-21)20(23-14(12)3)27-11-19(24)22-9-15-10-25-17-6-4-5-7-18(17)26-15/h4-7,15H,9-11H2,1-3H3,(H,22,24)/t15-/m0/s1