5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C17H22N2O2S/c20-16-9-12-22-15-8-4-3-7-14(15)19(16)13-17(21)18-10-5-1-2-6-11-18/h3-4,7-8H,1-2,5-6,9-13H2