[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-12-10-14(13(2)26-12)17(21)11-25-18(22)8-5-9-19-15-6-3-4-7-16(15)20(23)24/h3-4,6-7,10,19H,5,8-9,11H2,1-2H3