(2-chloranyl-5-methylsulfanyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C17H16ClNOS2 MolecularWeight: 349.89804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C17H16ClNOS2/c1-21-12-7-8-14(18)13(11-12)17(20)19-9-4-10-22-16-6-3-2-5-15(16)19/h2-3,5-8,11H,4,9-10H2,1H3