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

Systemtic Name: ethyl 2-(3-butyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-butyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate CAS Name: 2-[(3-butyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-butyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate Traditional Name: 2-[(3-butyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetic acid ethyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)OCC

InChI

InChI=1S/C25H32N2O3S/c1-3-5-15-27-23(29)21-22(26-24(27)31-17-20(28)30-4-2)19-12-8-7-11-18(19)16-25(21)13-9-6-10-14-25/h7-8,11-12H,3-6,9-10,13-17H2,1-2H3