butyl (3E)-6-methyl-2,4-bis(oxidanylidene)-3-[(pyridin-3-ylcarbothioylamino)methylidene]hept-5-enoate

Systemtic Name: butyl (3E)-6-methyl-2,4-bis(oxidanylidene)-3-[(pyridin-3-ylcarbothioylamino)methylidene]hept-5-enoate Openeye Name: butyl (3E)-6-methyl-2,4-dioxo-3-[(pyridine-3-carbothioylamino)methylene]hept-5-enoate CAS Name: (3E)-6-methyl-2,4-dioxo-3-[[[3-pyridinyl(sulfanylidene)methyl]amino]methylidene]-5-heptenoic acid butyl ester IUPAC Name: butyl (3E)-6-methyl-2,4-dioxo-3-[(pyridine-3-carbothioylamino)methylidene]hept-5-enoate Traditional Name: (3E)-2,4-diketo-6-methyl-3-[(pyridine-3-carbothioylamino)methylene]hept-5-enoic acid butyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)C(=CNC(=S)C1=CN=CC=C1)C(=O)C=C(C)C

Isomeric SMILES

CCCCOC(=O)C(=O)/C(=C/NC(=S)C1=CN=CC=C1)/C(=O)C=C(C)C

InChI

InChI=1S/C19H22N2O4S/c1-4-5-9-25-19(24)17(23)15(16(22)10-13(2)3)12-21-18(26)14-7-6-8-20-11-14/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,26)/b15-12+