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

Systemtic Name: methyl 2-[(5-cyclohexyl-5-methyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-22(15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)19-18(22)20(26)24-21(23-19)28-13-17(25)27-2/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3,(H,23,24,26)