tert-butyl 2-isocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-isocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: tert-butyl 2-isocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-isocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-isocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-isocyanato-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid tert-butyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC2=C1CCCCC2)N=C=O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC2=C1CCCCC2)N=C=O

InChI

InChI=1S/C15H19NO3S/c1-15(2,3)19-14(18)12-10-7-5-4-6-8-11(10)20-13(12)16-9-17/h4-8H2,1-3H3