[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S/c1-15-9-10-17(19(12-15)26(30)31)24-21(27)14-32-23(29)18(13-16-6-3-2-4-7-16)25-22(28)20-8-5-11-33-20/h2-12,18H,13-14H2,1H3,(H,24,27)(H,25,28)/t18-/m0/s1