ethyl (4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)methylsulfanylmethanoate

Systemtic Name: ethyl (4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)methylsulfanylmethanoate Openeye Name: ethyl (3-allyl-4-oxo-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)methylsulfanylformate CAS Name: [(4-oxo-3-prop-2-enyl-1-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]yl)methylthio]formic acid ethyl ester IUPAC Name: ethyl (4-oxo-3-prop-2-enylspiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)methylsulfanylformate Traditional Name: [(3-allyl-4-keto-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)methylthio]formic acid ethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=NN(C(=O)C2=C1C3=CC=CC=C3CC24CCCCC4)CC=C

Isomeric SMILES

CCOC(=O)SCC1=NN(C(=O)C2=C1C3=CC=CC=C3CC24CCCCC4)CC=C

InChI

InChI=1S/C24H28N2O3S/c1-3-14-26-22(27)21-20(19(25-26)16-30-23(28)29-4-2)18-11-7-6-10-17(18)15-24(21)12-8-5-9-13-24/h3,6-7,10-11H,1,4-5,8-9,12-16H2,2H3