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

Systemtic Name: ethyl 2-[3-(cyclopentylmethyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(cyclopentylmethyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetate CAS Name: 2-[[3-(cyclopentylmethyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(cyclopentylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetate Traditional Name: 2-[[3-(cyclopentylmethyl)-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]thio]acetic acid ethyl ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1CC3CCCC3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H32N2O3S/c1-2-31-21(29)17-32-25-27-23-20-12-6-5-11-19(20)15-26(13-7-8-14-26)22(23)24(30)28(25)16-18-9-3-4-10-18/h5-6,11-12,18H,2-4,7-10,13-17H2,1H3