2-[4-(4-bromanylbutoxy)phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one

Systemtic Name: 2-[4-(4-bromanylbutoxy)phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one Openeye Name: 2-[4-(4-bromobutoxy)phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one CAS Name: 2-[4-(4-bromobutoxy)phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one IUPAC Name: 2-[4-(4-bromobutoxy)phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one Traditional Name: 2-[4-(4-bromobutoxy)phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one Formula: C20H22BrNO2S MolecularWeight: 420.36318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(S2)C3=CC=C(C=C3)OCCCCBr)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(S2)C3=CC=C(C=C3)OCCCCBr)C

InChI

InChI=1S/C20H22BrNO2S/c1-14-5-10-17-18(13-14)25-19(20(23)22(17)2)15-6-8-16(9-7-15)24-12-4-3-11-21/h5-10,13,19H,3-4,11-12H2,1-2H3