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

Systemtic Name: S-(2,3-dihydro-1,5-benzothiazepin-4-yl) ethanethioate Openeye Name: S-(2,3-dihydro-1,5-benzothiazepin-4-yl) ethanethioate CAS Name: ethanethioic acid S-(2,3-dihydro-1,5-benzothiazepin-4-yl) ester IUPAC Name: S-(2,3-dihydro-1,5-benzothiazepin-4-yl) ethanethioate Traditional Name: ethanethioic acid S-(2,3-dihydro-1,5-benzothiazepin-4-yl) ester Formula: C11H11NOS2 MolecularWeight: 237.34114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NOS2/c1-8(13)15-11-6-7-14-10-5-3-2-4-9(10)12-11/h2-5H,6-7H2,1H3