methyl 3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(4-tert-butylphenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(4-tert-butylphenyl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-tert-butylphenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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