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

Systemtic Name: 8-chloranyl-5-(2-oxidanylidenepropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-acetonyl-8-chloro-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-chloro-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-chloro-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-acetonyl-8-chloro-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C12H12ClNO2S MolecularWeight: 269.74718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)CCSC2=C1C=CC(=C2)Cl

Isomeric SMILES

CC(=O)CN1C(=O)CCSC2=C1C=CC(=C2)Cl

InChI

InChI=1S/C12H12ClNO2S/c1-8(15)7-14-10-3-2-9(13)6-11(10)17-5-4-12(14)16/h2-3,6H,4-5,7H2,1H3