4-ethyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 4-ethyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 4-ethyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-ethyl-2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 4-ethyl-2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 4-ethyl-5-keto-2-[[2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=C(N(C(=C3)C)CCOC)C)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=C(N(C(=C3)C)CCOC)C)C#N

InChI

InChI=1S/C25H31N3O3S/c1-7-17-19(13-26)24(27-20-11-25(4,5)12-21(29)23(17)20)32-14-22(30)18-10-15(2)28(16(18)3)8-9-31-6/h10H,7-9,11-12,14H2,1-6H3