2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C21H21ClN4O6S MolecularWeight: 492.93264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O6S/c1-3-32-14-5-7-16(18(11-14)26(29)30)23-19(27)12-33-21-24-17-10-13(22)4-6-15(17)20(28)25(21)8-9-31-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,23,27)