1-(4-methyl-2-methylsulfanyl-1,5-benzothiazepin-3-yl)ethanone

Systemtic Name: 1-(4-methyl-2-methylsulfanyl-1,5-benzothiazepin-3-yl)ethanone Openeye Name: 1-(4-methyl-2-methylsulfanyl-1,5-benzothiazepin-3-yl)ethanone CAS Name: 1-[4-methyl-2-(methylthio)-1,5-benzothiazepin-3-yl]ethanone IUPAC Name: 1-(4-methyl-2-methylsulfanyl-1,5-benzothiazepin-3-yl)ethanone Traditional Name: 1-[4-methyl-2-(methylthio)-1,5-benzothiazepin-3-yl]ethanone Formula: C13H13NOS2 MolecularWeight: 263.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2SC(=C1C(=O)C)SC

Isomeric SMILES

CC1=NC2=CC=CC=C2SC(=C1C(=O)C)SC

InChI

InChI=1S/C13H13NOS2/c1-8-12(9(2)15)13(16-3)17-11-7-5-4-6-10(11)14-8/h4-7H,1-3H3