(2R)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[2-[(2-amino-2-oxoethyl)thio]anilino]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C18H20N4O5S/c1-11(20-14-5-3-4-6-16(14)28-10-17(19)23)18(24)21-13-8-7-12(22(25)26)9-15(13)27-2/h3-9,11,20H,10H2,1-2H3,(H2,19,23)(H,21,24)/t11-/m1/s1