[1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N3O5S/c1-4-15-8-10-16(11-9-15)18-12-31-22(23-18)24-20(26)14(3)30-21(27)17-6-5-7-19(13(17)2)25(28)29/h5-12,14H,4H2,1-3H3,(H,23,24,26)