(3S)-6-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-6-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-6-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-6-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-6-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-2-keto-6-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=C(C(C(C(=O)N3)C#N)(C)C)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=C(C([C@H](C(=O)N3)C#N)(C)C)C#N)C

InChI

InChI=1S/C21H19N3O3S/c1-11-5-6-14-13(7-17(25)27-18(14)12(11)2)10-28-20-16(9-23)21(3,4)15(8-22)19(26)24-20/h5-7,15H,10H2,1-4H3,(H,24,26)/t15-/m0/s1