5-(2-dimethylaminoethyl)-2-pyridin-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-dimethylaminoethyl)-2-pyridin-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-(2-dimethylaminoethyl)-2-(3-pyridyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-(2-dimethylaminoethyl)-2-(3-pyridinyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-dimethylaminoethyl)-2-pyridin-3-yl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-dimethylaminoethyl)-2-(3-pyridyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)CC(SC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

CN(C)CCN1C(=O)CC(SC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-20(2)10-11-21-15-7-3-4-8-16(15)23-17(12-18(21)22)14-6-5-9-19-13-14/h3-9,13,17H,10-12H2,1-2H3