1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(2-pyrimidylthio)ethanone Formula: C16H17N3OS2 MolecularWeight: 331.45568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H17N3OS2/c1-12-7-10-19(13-5-2-3-6-14(13)22-12)15(20)11-21-16-17-8-4-9-18-16/h2-6,8-9,12H,7,10-11H2,1H3/t12-/m0/s1