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

Systemtic Name: ethyl 2-(3-methyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-methyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate CAS Name: 2-[(3-methyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C21H24N2O3S/c1-3-26-16(24)13-27-20-22-18-15-9-5-4-8-14(15)12-21(10-6-7-11-21)17(18)19(25)23(20)2/h4-5,8-9H,3,6-7,10-13H2,1-2H3