3-isocyanato-3,3a,6,7a-tetrahydro-2H-1-benzothiophen-7-one

Systemtic Name: 3-isocyanato-3,3a,6,7a-tetrahydro-2H-1-benzothiophen-7-one Openeye Name: 3-isocyanato-3,3a,6,7a-tetrahydro-2H-benzothiophen-7-one CAS Name: 3-isocyanato-3,3a,6,7a-tetrahydro-2H-1-benzothiophen-7-one IUPAC Name: 3-isocyanato-3,3a,6,7a-tetrahydro-2H-1-benzothiophen-7-one Traditional Name: 3-isocyanato-3,3a,6,7a-tetrahydro-2H-benzothiophen-7-one Formula: C9H9NO2S MolecularWeight: 195.23826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C(CSC2C1=O)N=C=O

Isomeric SMILES

C1C=CC2C(CSC2C1=O)N=C=O

InChI

InChI=1S/C9H9NO2S/c11-5-10-7-4-13-9-6(7)2-1-3-8(9)12/h1-2,6-7,9H,3-4H2