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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid (2-phenylthiazol-4-yl)methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-13-9-15(7-8-17(13)23(26)27)19(25)21-10-18(24)28-11-16-12-29-20(22-16)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,21,25)