[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C

InChI

InChI=1S/C18H19N3O6S/c1-11-5-3-6-14(21(25)26)18(11)20-16(23)10-27-17(24)9-13(19-12(2)22)15-7-4-8-28-15/h3-8,13H,9-10H2,1-2H3,(H,19,22)(H,20,23)