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

Systemtic Name: ethyl 2-[(5-cyclohexyl-5-methyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyclohexyl-4-keto-5-methyl-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2(C)C4CCCCC4

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2(C)C4CCCCC4

InChI

InChI=1S/C23H28N2O3S/c1-3-28-18(26)14-29-22-24-20-17-12-8-7-9-15(17)13-23(2,19(20)21(27)25-22)16-10-5-4-6-11-16/h7-9,12,16H,3-6,10-11,13-14H2,1-2H3,(H,24,25,27)