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

Systemtic Name: ethyl 2-(4-oxidanylidene-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-oxo-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-propyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)OCC

InChI

InChI=1S/C23H28N2O3S/c1-3-13-25-21(27)19-20(24-22(25)29-15-18(26)28-4-2)17-10-6-5-9-16(17)14-23(19)11-7-8-12-23/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3