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

Systemtic Name: ethyl 2-[(5-cyclohexyl-5-methyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]-2-phenylacetate Traditional Name: 2-[(5-cyclohexyl-4-keto-5-methyl-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=O)C3=C(N2)C4=CC=CC=C4CC3(C)C5CCCCC5

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=O)C3=C(N2)C4=CC=CC=C4CC3(C)C5CCCCC5

InChI

InChI=1S/C29H32N2O3S/c1-3-34-27(33)25(19-12-6-4-7-13-19)35-28-30-24-22-17-11-10-14-20(22)18-29(2,23(24)26(32)31-28)21-15-8-5-9-16-21/h4,6-7,10-14,17,21,25H,3,5,8-9,15-16,18H2,1-2H3,(H,30,31,32)