ethyl 2-[(5,5-dimethyl-4-oxidanylidene-3-phenyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5,5-dimethyl-4-oxidanylidene-3-phenyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5,5-dimethyl-4-oxo-3-phenyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[(5,5-dimethyl-4-oxo-3-phenyl-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5,5-dimethyl-4-oxo-3-phenyl-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-5,5-dimethyl-3-phenyl-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C

InChI

InChI=1S/C24H24N2O3S/c1-4-29-19(27)15-30-23-25-21-18-13-9-8-10-16(18)14-24(2,3)20(21)22(28)26(23)17-11-6-5-7-12-17/h5-13H,4,14-15H2,1-3H3