ethyl 2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: 2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate Traditional Name: 2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

InChI

InChI=1S/C22H23ClN2O4S/c1-3-29-21(27)19(15-8-5-4-6-9-15)30-22-24-18-14-16(23)10-11-17(18)20(26)25(22)12-7-13-28-2/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3