2-bromanyl-1-(2-chloranyl-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone

Systemtic Name: 2-bromanyl-1-(2-chloranyl-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone Openeye Name: 2-bromo-1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone CAS Name: 2-bromo-1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone IUPAC Name: 2-bromo-1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone Traditional Name: 2-bromo-1-(2-chloro-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)ethanone Formula: C12H13BrClNO2S MolecularWeight: 350.65912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(CN(C2)C(=O)CBr)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)SC(CN(C2)C(=O)CBr)Cl

InChI

InChI=1S/C12H13BrClNO2S/c1-17-9-2-3-10-8(4-9)6-15(12(16)5-13)7-11(14)18-10/h2-4,11H,5-7H2,1H3