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

Systemtic Name: ethyl 2-(4-oxidanylidene-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-oxo-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-phenyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetic acid ethyl ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H26N2O3S/c1-2-31-21(29)17-32-25-27-23-20-13-7-6-10-18(20)16-26(14-8-9-15-26)22(23)24(30)28(25)19-11-4-3-5-12-19/h3-7,10-13H,2,8-9,14-17H2,1H3