2-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4,6-dimethyl-5-phenacyl-pyridine-3-carbonitrile

Systemtic Name: 2-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-4,6-dimethyl-5-phenacyl-pyridine-3-carbonitrile Openeye Name: 2-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-4,6-dimethyl-5-phenacyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-4,6-dimethyl-5-phenacyl-3-pyridinecarbonitrile IUPAC Name: 2-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4,6-dimethyl-5-phenacylpyridine-3-carbonitrile Traditional Name: 2-[(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)thio]-4,6-dimethyl-5-phenacyl-nicotinonitrile Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC(=C(C(=C3C#N)C)CC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC(=C(C(=C3C#N)C)CC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H25N3O4S/c1-4-35-21-12-10-20(11-13-21)31-26(33)15-25(28(31)34)36-27-23(16-29)17(2)22(18(3)30-27)14-24(32)19-8-6-5-7-9-19/h5-13,25H,4,14-15H2,1-3H3