S-(3-isocyano-4,6-dimethyl-pyridin-2-yl) 2-oxidanylidenechromene-3-carbothioate

Systemtic Name: S-(3-isocyano-4,6-dimethyl-pyridin-2-yl) 2-oxidanylidenechromene-3-carbothioate Openeye Name: S-(3-isocyano-4,6-dimethyl-2-pyridyl) 2-oxochromene-3-carbothioate CAS Name: 2-oxo-1-benzopyran-3-carbothioic acid S-(3-isocyano-4,6-dimethyl-2-pyridinyl) ester IUPAC Name: S-(3-isocyano-4,6-dimethylpyridin-2-yl) 2-oxochromene-3-carbothioate Traditional Name: 2-ketochromene-3-carbothioic acid S-(3-isocyano-4,6-dimethyl-2-pyridyl) ester Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1[N+]#[C-])SC(=O)C2=CC3=CC=CC=C3OC2=O)C

Isomeric SMILES

CC1=CC(=NC(=C1[N+]#[C-])SC(=O)C2=CC3=CC=CC=C3OC2=O)C

InChI

InChI=1S/C18H12N2O3S/c1-10-8-11(2)20-16(15(10)19-3)24-18(22)13-9-12-6-4-5-7-14(12)23-17(13)21/h4-9H,1-2H3