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

Systemtic Name: ethyl 2-[[5-ethyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-benzyl-5-ethyl-5-methyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[[5-ethyl-5-methyl-4-oxo-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-5-ethyl-5-methyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-benzyl-5-ethyl-4-keto-5-methyl-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)OCC)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC(=O)OCC)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N2O3S/c1-4-26(3)15-19-13-9-10-14-20(19)23-22(26)24(30)28(16-18-11-7-6-8-12-18)25(27-23)32-17-21(29)31-5-2/h6-14H,4-5,15-17H2,1-3H3