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

Systemtic Name: 2-methyl-5-(2-oxidanylidenepropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-acetonyl-2-methyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-methyl-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-methyl-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-acetonyl-2-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)C

Isomeric SMILES

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)C

InChI

InChI=1S/C13H15NO2S/c1-9(15)8-14-11-5-3-4-6-12(11)17-10(2)7-13(14)16/h3-6,10H,7-8H2,1-2H3