[(1R)-2-[(2-azanyl-5-nitro-phenyl)amino]-1-phenyl-2-sulfanylidene-ethyl] ethanoate

Systemtic Name: [(1R)-2-[(2-azanyl-5-nitro-phenyl)amino]-1-phenyl-2-sulfanylidene-ethyl] ethanoate Openeye Name: [(1R)-2-(2-amino-5-nitro-anilino)-1-phenyl-2-thioxo-ethyl] acetate CAS Name: acetic acid [(1R)-2-(2-amino-5-nitroanilino)-1-phenyl-2-sulfanylideneethyl] ester IUPAC Name: [(1R)-2-(2-amino-5-nitroanilino)-1-phenyl-2-sulfanylideneethyl] acetate Traditional Name: acetic acid [(1R)-2-(2-amino-5-nitro-anilino)-1-phenyl-2-thioxo-ethyl] ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(=O)O[C@H](C1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H15N3O4S/c1-10(20)23-15(11-5-3-2-4-6-11)16(24)18-14-9-12(19(21)22)7-8-13(14)17/h2-9,15H,17H2,1H3,(H,18,24)/t15-/m1/s1