2-isocyanato-5-methyl-thiophene-3-carboxylic acid

Systemtic Name: 2-isocyanato-5-methyl-thiophene-3-carboxylic acid Openeye Name: 2-isocyanato-5-methyl-thiophene-3-carboxylic acid CAS Name: 2-isocyanato-5-methyl-3-thiophenecarboxylic acid IUPAC Name: 2-isocyanato-5-methylthiophene-3-carboxylic acid Traditional Name: 2-isocyanato-5-methyl-3-thenoic acid Formula: C7H5NO3S MolecularWeight: 183.1845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)N=C=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)N=C=O)C(=O)O

InChI

InChI=1S/C7H5NO3S/c1-4-2-5(7(10)11)6(12-4)8-3-9/h2H,1H3,(H,10,11)