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

Systemtic Name: 5-(3-oxidanylidenebutyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(3-oxobutyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(3-oxobutyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(3-oxobutyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(3-ketobutyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CC(=O)CCN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C13H15NO2S/c1-10(15)6-8-14-11-4-2-3-5-12(11)17-9-7-13(14)16/h2-5H,6-9H2,1H3