[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[[4-(2,5-dimethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[4-(2,5-dimethylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[4-(2,5-dimethylphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-12-3-4-13(2)16(9-12)17-11-29-20(21-17)22-18(24)10-28-19(25)14-5-7-15(8-6-14)23(26)27/h3-9,11H,10H2,1-2H3,(H,21,22,24)