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

Systemtic Name: ethyl 2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-oxo-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-phenethyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-oxo-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetic acid ethyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H32N2O3S/c1-2-34-24(32)20-35-28-30-26-23-14-8-7-13-22(23)19-29(16-9-4-10-17-29)25(26)27(33)31(28)18-15-21-11-5-3-6-12-21/h3,5-8,11-14H,2,4,9-10,15-20H2,1H3