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

Systemtic Name: (3-nitrophenyl)methyl 4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (3-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 (3-nitrophenyl)methyl ester IUPAC Name: (3-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 (3-nitrobenzyl) ester Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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