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

Systemtic Name: ethyl 2-[2-[[4-(ethylamino)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[4-(ethylamino)-3-nitro-benzoyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[4-(ethylamino)-3-nitrophenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(ethylamino)-3-nitrobenzoyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[4-(ethylamino)-3-nitro-benzoyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-3-17-12-6-5-10(7-13(12)20(23)24)15(22)19-16-18-11(9-26-16)8-14(21)25-4-2/h5-7,9,17H,3-4,8H2,1-2H3,(H,18,19,22)