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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-4-25(3)15-17-11-9-10-14-19(17)22-21(25)23(29)27(18-12-7-6-8-13-18)24(26-22)31-16-20(28)30-5-2/h6-14H,4-5,15-16H2,1-3H3