S-(2,3-dihydro-1,5-benzothiazepin-4-yl) propanethioate

Systemtic Name: S-(2,3-dihydro-1,5-benzothiazepin-4-yl) propanethioate Openeye Name: S-(2,3-dihydro-1,5-benzothiazepin-4-yl) propanethioate CAS Name: propanethioic acid S-(2,3-dihydro-1,5-benzothiazepin-4-yl) ester IUPAC Name: S-(2,3-dihydro-1,5-benzothiazepin-4-yl) propanethioate Traditional Name: propanethioic acid S-(2,3-dihydro-1,5-benzothiazepin-4-yl) ester Formula: C12H13NOS2 MolecularWeight: 251.36772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC1=NC2=CC=CC=C2SCC1

Isomeric SMILES

CCC(=O)SC1=NC2=CC=CC=C2SCC1

InChI

InChI=1S/C12H13NOS2/c1-2-12(14)16-11-7-8-15-10-6-4-3-5-9(10)13-11/h3-6H,2,7-8H2,1H3