1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl)propan-1-one

Systemtic Name: 1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl)propan-1-one Openeye Name: 1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl)propan-1-one CAS Name: 1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl)-1-propanone IUPAC Name: 1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl)propan-1-one Traditional Name: 1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-2-yl)propan-1-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CNCC2=C(S1)C=CC(=C2)OC

Isomeric SMILES

CCC(=O)C1CNCC2=C(S1)C=CC(=C2)OC

InChI

InChI=1S/C13H17NO2S/c1-3-11(15)13-8-14-7-9-6-10(16-2)4-5-12(9)17-13/h4-6,13-14H,3,7-8H2,1-2H3