(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c1-11-7-12(4-5-14(11)21(24)25)17(23)19-8-16(22)26-9-13-10-27-18(20-13)15-3-2-6-28-15/h2-7,10H,8-9H2,1H3,(H,19,23)