2-[4-[3,5-dimethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-6-yl]carbonylphenoxy]ethyl ethanoate

Systemtic Name: 2-[4-[3,5-dimethyl-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-6-yl]carbonylphenoxy]ethyl ethanoate Openeye Name: 2-[4-(2-benzylsulfanyl-3,5-dimethyl-4-oxo-quinazoline-6-carbonyl)phenoxy]ethyl acetate CAS Name: acetic acid 2-[4-[[3,5-dimethyl-4-oxo-2-(phenylmethylthio)-6-quinazolinyl]-oxomethyl]phenoxy]ethyl ester IUPAC Name: 2-[4-(2-benzylsulfanyl-3,5-dimethyl-4-oxoquinazoline-6-carbonyl)phenoxy]ethyl acetate Traditional Name: acetic acid 2-[4-[2-(benzylthio)-4-keto-3,5-dimethyl-quinazoline-6-carbonyl]phenoxy]ethyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C)C(=O)C4=CC=C(C=C4)OCCOC(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C)C(=O)C4=CC=C(C=C4)OCCOC(=O)C

InChI

InChI=1S/C28H26N2O5S/c1-18-23(26(32)21-9-11-22(12-10-21)35-16-15-34-19(2)31)13-14-24-25(18)27(33)30(3)28(29-24)36-17-20-7-5-4-6-8-20/h4-14H,15-17H2,1-3H3