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

Systemtic Name: ethyl 2-(3-methyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-methyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate CAS Name: 2-[(3-methyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C22H26N2O3S/c1-3-27-17(25)14-28-21-23-19-16-10-6-5-9-15(16)13-22(11-7-4-8-12-22)18(19)20(26)24(21)2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3