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

Systemtic Name: ethyl 2-[3-(cyclopentylmethyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(cyclopentylmethyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate CAS Name: 2-[[3-(cyclopentylmethyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(cyclopentylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate Traditional Name: 2-[[3-(cyclopentylmethyl)-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]acetic acid ethyl ester Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H34N2O3S/c1-2-32-22(30)18-33-26-28-24-21-13-7-6-12-20(21)16-27(14-8-3-9-15-27)23(24)25(31)29(26)17-19-10-4-5-11-19/h6-7,12-13,19H,2-5,8-11,14-18H2,1H3