S-(3-cyano-6-methyl-pyridin-2-yl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanethioate

Systemtic Name: S-(3-cyano-6-methyl-pyridin-2-yl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanethioate Openeye Name: S-(3-cyano-6-methyl-2-pyridyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanethioate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanethioic acid S-(3-cyano-6-methyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-methylpyridin-2-yl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanethioate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butanethioic acid S-(3-cyano-6-methyl-2-pyridyl) ester Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C23H17N3O3S/c1-14-10-11-16(13-24)21(25-14)30-19(27)9-4-12-26-22(28)17-7-2-5-15-6-3-8-18(20(15)17)23(26)29/h2-3,5-8,10-11H,4,9,12H2,1H3