ethyl 2-[[(5R)-5-cyclohexyl-5-ethyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[(5R)-5-cyclohexyl-5-ethyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(5R)-5-cyclohexyl-5-ethyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetate CAS Name: 2-[[(5R)-5-cyclohexyl-5-ethyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(5R)-5-cyclohexyl-5-ethyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(5R)-5-cyclohexyl-5-ethyl-4-keto-1,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)OCC)C4CCCCC4

Isomeric SMILES

CC[C@@]1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)OCC)C4CCCCC4

InChI

InChI=1S/C24H30N2O3S/c1-3-24(17-11-6-5-7-12-17)14-16-10-8-9-13-18(16)21-20(24)22(28)26-23(25-21)30-15-19(27)29-4-2/h8-10,13,17H,3-7,11-12,14-15H2,1-2H3,(H,25,26,28)/t24-/m1/s1