methyl 2-isocyanato-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-isocyanato-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-isocyanato-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-isocyanato-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-isocyanato-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-isocyanato-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C10H11NO3S MolecularWeight: 225.26424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO3S/c1-6(2)8-4-7(10(13)14-3)9(15-8)11-5-12/h4,6H,1-3H3