5-(2-oxidanylidenepropyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-oxidanylidenepropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-acetonyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-acetonyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C12H13NO2S MolecularWeight: 235.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C12H13NO2S/c1-9(14)8-13-10-4-2-3-5-11(10)16-7-6-12(13)15/h2-5H,6-8H2,1H3