(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4S2/c1-19(2,3)15-5-4-12(8-16(15)21(23)24)18(22)25-9-14-11-27-17(20-14)13-6-7-26-10-13/h4-8,10-11H,9H2,1-3H3