ethyl 2-[[5-cyclohexyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-cyclohexyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-benzyl-5-cyclohexyl-5-methyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-5-methyl-4-oxo-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-5-cyclohexyl-5-methyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-benzyl-5-cyclohexyl-4-keto-5-methyl-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

InChI

InChI=1S/C30H34N2O3S/c1-3-35-25(33)20-36-29-31-27-24-17-11-10-14-22(24)18-30(2,23-15-8-5-9-16-23)26(27)28(34)32(29)19-21-12-6-4-7-13-21/h4,6-7,10-14,17,23H,3,5,8-9,15-16,18-20H2,1-2H3