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

Systemtic Name: ethyl (4-oxidanylidene-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)methylsulfanylmethanoate Openeye Name: ethyl (4-oxo-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)methylsulfanylformate CAS Name: [(4-oxo-3-phenyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)methylthio]formic acid ethyl ester IUPAC Name: ethyl (4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)methylsulfanylformate Traditional Name: [(4-keto-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)methylthio]formic acid ethyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)SCC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H28N2O3S/c1-2-32-26(31)33-18-22-28-24-21-14-8-7-11-19(21)17-27(15-9-4-10-16-27)23(24)25(30)29(22)20-12-5-3-6-13-20/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3