[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C17H18N4O6S/c1-4-7-18-17-20-13(9-28-17)16(23)27-10(2)15(22)19-12-8-11(21(24)25)5-6-14(12)26-3/h4-6,8-10H,1,7H2,2-3H3,(H,18,20)(H,19,22)/t10-/m1/s1