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

Systemtic Name: ethyl 2-(3-cyclopentyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-cyclopentyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate CAS Name: 2-[(3-cyclopentyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyclopentyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyclopentyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetic acid ethyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H30N2O3S/c1-2-30-20(28)16-31-24-26-22-19-12-6-3-9-17(19)15-25(13-7-8-14-25)21(22)23(29)27(24)18-10-4-5-11-18/h3,6,9,12,18H,2,4-5,7-8,10-11,13-16H2,1H3