methyl 3-[(5-cyclohexyl-5-methyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(5-cyclohexyl-5-methyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate CAS Name: 3-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-cyclohexyl-4-keto-5-methyl-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]propionic acid methyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCCC(=O)OC)C4CCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCCC(=O)OC)C4CCCCC4

InChI

InChI=1S/C23H28N2O3S/c1-23(16-9-4-3-5-10-16)14-15-8-6-7-11-17(15)20-19(23)21(27)25-22(24-20)29-13-12-18(26)28-2/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H,24,25,27)