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

Systemtic Name: ethyl 2-[[5,5-dimethyl-4-oxidanylidene-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-benzyl-5,5-dimethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate CAS Name: 2-[[5,5-dimethyl-4-oxo-3-(phenylmethyl)-6H-benzo[h]quinazolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-5,5-dimethyl-4-oxo-6H-benzo[h]quinazolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-benzyl-4-keto-5,5-dimethyl-6H-benzo[h]quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-4-30-20(28)16-31-24-26-22-19-13-9-8-12-18(19)14-25(2,3)21(22)23(29)27(24)15-17-10-6-5-7-11-17/h5-13H,4,14-16H2,1-3H3