(2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN4O5S/c1-4-9-25-20(28)15-10-13(22)5-7-16(15)24-21(25)32-12(2)19(27)23-17-11-14(26(29)30)6-8-18(17)31-3/h4-8,10-12H,1,9H2,2-3H3,(H,23,27)/t12-/m0/s1