[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenothiazin-10-ylpropanoate Openeye Name: [(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [(1S)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C24H21N3O5S/c1-16(24(29)25-17-7-6-8-18(15-17)27(30)31)32-23(28)13-14-26-19-9-2-4-11-21(19)33-22-12-5-3-10-20(22)26/h2-12,15-16H,13-14H2,1H3,(H,25,29)/t16-/m0/s1