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

Systemtic Name: ethyl 2-[3-(2-methylphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(o-tolyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetate CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]thio]acetic acid ethyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H28N2O3S/c1-3-32-22(30)17-33-26-28-24-20-12-6-5-11-19(20)16-27(14-8-9-15-27)23(24)25(31)29(26)21-13-7-4-10-18(21)2/h4-7,10-13H,3,8-9,14-17H2,1-2H3