2-methoxy-1-(4-methylsulfanyl-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-methoxy-1-(4-methylsulfanyl-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-methoxy-1-(4-methylsulfanyl-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-methoxy-1-[4-(methylthio)-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-methoxy-1-(4-methylsulfanyl-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-methoxy-1-[4-(methylthio)-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(=CCSC2=CC=CC=C21)SC

Isomeric SMILES

COCC(=O)N1C(=CCSC2=CC=CC=C21)SC

InChI

InChI=1S/C13H15NO2S2/c1-16-9-12(15)14-10-5-3-4-6-11(10)18-8-7-13(14)17-2/h3-7H,8-9H2,1-2H3