(4-nitrophenyl)methyl 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-oxo-4-[[4-(p-tolyl)thiazol-2-yl]amino]butanoate CAS Name: 4-[[4-(4-methylphenyl)-2-thiazolyl]amino]-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(p-tolyl)thiazol-2-yl]amino]butyric acid (4-nitrobenzyl) ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-14-2-6-16(7-3-14)18-13-30-21(22-18)23-19(25)10-11-20(26)29-12-15-4-8-17(9-5-15)24(27)28/h2-9,13H,10-12H2,1H3,(H,22,23,25)