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

Systemtic Name: ethyl 2-[(5-butyl-5-cyclohexyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-butyl-5-cyclohexyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-butyl-5-cyclohexyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-butyl-5-cyclohexyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-butyl-5-cyclohexyl-4-keto-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)OCC)C4CCCCC4

Isomeric SMILES

CCCCC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)OCC)C4CCCCC4

InChI

InChI=1S/C26H34N2O3S/c1-3-5-15-26(19-12-7-6-8-13-19)16-18-11-9-10-14-20(18)23-22(26)24(30)28-25(27-23)32-17-21(29)31-4-2/h9-11,14,19H,3-8,12-13,15-17H2,1-2H3,(H,27,28,30)