[(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H15ClN4O5S MolecularWeight: 446.8642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CSC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)CSC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C19H15ClN4O5S/c1-11(19(26)23-16-8-12(24(27)28)6-7-13(16)20)29-18(25)10-30-17-9-21-14-4-2-3-5-15(14)22-17/h2-9,11H,10H2,1H3,(H,23,26)/t11-/m0/s1