3-[2-(5-bromanylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol

Systemtic Name: 3-[2-(5-bromanylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Openeye Name: 3-[2-(5-bromo-2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol CAS Name: 3-[2-(5-bromo-2-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol IUPAC Name: 3-[2-(5-bromothiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Traditional Name: 3-[2-(5-bromo-2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol Formula: C19H14BrNOS2 MolecularWeight: 416.35456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC(=CC=C3)O)C4=CC=C(S4)Br

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC(=CC=C3)O)C4=CC=C(S4)Br

InChI

InChI=1S/C19H14BrNOS2/c20-19-9-8-17(24-19)18-11-15(12-4-3-5-13(22)10-12)21-14-6-1-2-7-16(14)23-18/h1-10,18,22H,11H2