(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O4S/c1-12-6-5-7-16-13(2)10-19(23-20(12)16)29-14(3)21(25)22-17-9-8-15(24(26)27)11-18(17)28-4/h5-11,14H,1-4H3,(H,22,25)/t14-/m1/s1