1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-butanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCSC2=CC=CC=C21

Isomeric SMILES

CCCC(=O)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C13H17NOS/c1-2-6-13(15)14-9-5-10-16-12-8-4-3-7-11(12)14/h3-4,7-8H,2,5-6,9-10H2,1H3