methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-chloro-4-fluoro-phenyl)-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-fluorophenyl)-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H16ClFN2O5S MolecularWeight: 450.867843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H16ClFN2O5S/c1-3-29-17(25)10-30-20-23-16-8-11(19(27)28-2)4-6-13(16)18(26)24(20)12-5-7-15(22)14(21)9-12/h4-9H,3,10H2,1-2H3