ethyl 3-[4-[2-(4-oxidanylidenequinazolin-3-yl)ethoxy]phenyl]-2-propan-2-ylsulfanyl-propanoate

Systemtic Name: ethyl 3-[4-[2-(4-oxidanylidenequinazolin-3-yl)ethoxy]phenyl]-2-propan-2-ylsulfanyl-propanoate Openeye Name: ethyl 2-isopropylsulfanyl-3-[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]propanoate CAS Name: 3-[4-[2-(4-oxo-3-quinazolinyl)ethoxy]phenyl]-2-(propan-2-ylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4-oxoquinazolin-3-yl)ethoxy]phenyl]-2-propan-2-ylsulfanylpropanoate Traditional Name: 2-(isopropylthio)-3-[4-[2-(4-ketoquinazolin-3-yl)ethoxy]phenyl]propionic acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C=NC3=CC=CC=C3C2=O)SC(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C=NC3=CC=CC=C3C2=O)SC(C)C

InChI

InChI=1S/C24H28N2O4S/c1-4-29-24(28)22(31-17(2)3)15-18-9-11-19(12-10-18)30-14-13-26-16-25-21-8-6-5-7-20(21)23(26)27/h5-12,16-17,22H,4,13-15H2,1-3H3