methyl 5-tert-butyl-2-isocyanato-thiophene-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-2-isocyanato-thiophene-3-carboxylate Openeye Name: methyl 5-tert-butyl-2-isocyanato-thiophene-3-carboxylate CAS Name: 5-tert-butyl-2-isocyanato-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-2-isocyanatothiophene-3-carboxylate Traditional Name: 5-tert-butyl-2-isocyanato-thiophene-3-carboxylic acid methyl ester Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)N=C=O)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)N=C=O)C(=O)OC

InChI

InChI=1S/C11H13NO3S/c1-11(2,3)8-5-7(10(14)15-4)9(16-8)12-6-13/h5H,1-4H3