methyl (2R,4S)-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: methyl (2R,4S)-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: methyl (2R,4S)-2-methyl-4-[(5-nitrothiazol-2-yl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: (2R,4S)-2-methyl-4-[(5-nitro-2-thiazolyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-2-methyl-4-[(5-nitro-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: (2R,4S)-2-methyl-4-[(5-nitrothiazol-2-yl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid methyl ester Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC=CC=C2N1C(=O)OC)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C[C@@H](C2=CC=CC=C2N1C(=O)OC)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4S/c1-9-7-11(17-14-16-8-13(24-14)19(21)22)10-5-3-4-6-12(10)18(9)15(20)23-2/h3-6,8-9,11H,7H2,1-2H3,(H,16,17)/t9-,11+/m1/s1