(3S,4R)-2,2-dimethyl-4-[[(1R,6S)-4-(3-methylbut-2-enyl)-5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-4-[[(1R,6S)-4-(3-methylbut-2-enyl)-5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[[(1R,6S)-4-(3-methylbut-2-enyl)-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[[(1R,6S)-4-(3-methylbut-2-enyl)-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[[(1R,6S)-4-(3-methylbut-2-enyl)-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-[[(1R,6S)-5-keto-4-(3-methylbut-2-enyl)-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]oxy]-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(=O)C2CC2C(=N1)OC3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O)C

Isomeric SMILES

CC(=CCN1C(=O)[C@H]2C[C@H]2C(=N1)O[C@H]3[C@@H](C(OC4=C3C=C(C=C4)C#N)(C)C)O)C

InChI

InChI=1S/C22H25N3O4/c1-12(2)7-8-25-21(27)15-10-14(15)20(24-25)28-18-16-9-13(11-23)5-6-17(16)29-22(3,4)19(18)26/h5-7,9,14-15,18-19,26H,8,10H2,1-4H3/t14-,15+,18-,19+/m1/s1