ethyl 3-[4-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)ethoxy]phenyl]-2-propan-2-ylsulfanyl-propanoate

Systemtic Name: ethyl 3-[4-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)ethoxy]phenyl]-2-propan-2-ylsulfanyl-propanoate Openeye Name: ethyl 2-isopropylsulfanyl-3-[4-[2-(3-methyl-4-oxo-quinazolin-2-yl)ethoxy]phenyl]propanoate CAS Name: 3-[4-[2-(3-methyl-4-oxo-2-quinazolinyl)ethoxy]phenyl]-2-(propan-2-ylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)ethoxy]phenyl]-2-propan-2-ylsulfanylpropanoate Traditional Name: 2-(isopropylthio)-3-[4-[2-(4-keto-3-methyl-quinazolin-2-yl)ethoxy]phenyl]propionic acid ethyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCC2=NC3=CC=CC=C3C(=O)N2C)SC(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCC2=NC3=CC=CC=C3C(=O)N2C)SC(C)C

InChI

InChI=1S/C25H30N2O4S/c1-5-30-25(29)22(32-17(2)3)16-18-10-12-19(13-11-18)31-15-14-23-26-21-9-7-6-8-20(21)24(28)27(23)4/h6-13,17,22H,5,14-16H2,1-4H3