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

Systemtic Name: ethyl 2-[3-(2-methoxyphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(2-methoxyphenyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]thio]acetic acid ethyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H30N2O4S/c1-3-34-23(31)18-35-27-29-25-20-12-6-5-11-19(20)17-28(15-9-4-10-16-28)24(25)26(32)30(27)21-13-7-8-14-22(21)33-2/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3