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

Systemtic Name: ethyl 2-[3-(3-bromophenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(3-bromophenyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-bromophenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromophenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate Traditional Name: 2-[[3-(3-bromophenyl)-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]acetic acid ethyl ester Formula: C27H27BrN2O3S MolecularWeight: 539.48388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H27BrN2O3S/c1-2-33-22(31)17-34-26-29-24-21-12-5-4-9-18(21)16-27(13-6-3-7-14-27)23(24)25(32)30(26)20-11-8-10-19(28)15-20/h4-5,8-12,15H,2-3,6-7,13-14,16-17H2,1H3