2,7,9-trimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one

Systemtic Name: 2,7,9-trimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one Openeye Name: 2,7,9-trimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one CAS Name: 2,7,9-trimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one IUPAC Name: 2,7,9-trimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one Traditional Name: 2,7,9-trimethyl-3,4-dihydro-2H-1,4-benzothiazepin-5-one Formula: C12H15NOS MolecularWeight: 221.3186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C2=CC(=CC(=C2S1)C)C

Isomeric SMILES

CC1CNC(=O)C2=CC(=CC(=C2S1)C)C

InChI

InChI=1S/C12H15NOS/c1-7-4-8(2)11-10(5-7)12(14)13-6-9(3)15-11/h4-5,9H,6H2,1-3H3,(H,13,14)