(4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile

Systemtic Name: (4S)-2-azanyl-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile Openeye Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile CAS Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile IUPAC Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile Traditional Name: (4S)-2-amino-4-(1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC(C)(C)C1=C([C@@H](C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C18H17N3O3/c1-18(2,3)16-11(7-19)15(12(8-20)17(21)24-16)10-4-5-13-14(6-10)23-9-22-13/h4-6,15H,9,21H2,1-3H3/t15-/m0/s1