ethyl 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentanoate

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpentanoate Openeye Name: ethyl 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylpentanoate CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]valeric acid ethyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-3-7-18(20(26)27-4-2)28-21-23-17-9-6-5-8-16(17)19(25)24(21)15-12-10-14(22)11-13-15/h5-6,8-13,18H,3-4,7H2,1-2H3