ethyl 2-(3-ethyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-ethyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-ethyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate CAS Name: 2-[(3-ethyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate Traditional Name: 2-[(3-ethyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)OCC

InChI

InChI=1S/C22H26N2O3S/c1-3-24-20(26)18-19(23-21(24)28-14-17(25)27-4-2)16-10-6-5-9-15(16)13-22(18)11-7-8-12-22/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3