(4-bromanyl-3,5-dimethoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H18BrNO3S/c1-22-14-10-12(11-15(23-2)17(14)19)18(21)20-8-5-9-24-16-7-4-3-6-13(16)20/h3-4,6-7,10-11H,5,8-9H2,1-2H3