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

Systemtic Name: ethyl 2-(3-cyclopentyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-cyclopentyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate CAS Name: 2-[(3-cyclopentyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyclopentyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyclopentyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetic acid ethyl ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H32N2O3S/c1-2-31-21(29)17-32-25-27-23-20-13-7-4-10-18(20)16-26(14-8-3-9-15-26)22(23)24(30)28(25)19-11-5-6-12-19/h4,7,10,13,19H,2-3,5-6,8-9,11-12,14-17H2,1H3