2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(C(=O)CC(C3)(C)C)C(=C2C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(C(=O)CC(C3)(C)C)C(=C2C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O3S/c1-14-19(15(2)31-28-14)13-32-24-18(12-26)22(16-6-8-17(30-5)9-7-16)23-20(27-24)10-25(3,4)11-21(23)29/h6-9H,10-11,13H2,1-5H3