2-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(2-bromo-4,5-diethoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(2-bromo-4,5-diethoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(2-bromo-4,5-diethoxy-benzyl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br)OCC

InChI

InChI=1S/C18H18BrNO5S/c1-3-24-15-9-12(14(19)10-16(15)25-4-2)11-20-18(21)13-7-5-6-8-17(13)26(20,22)23/h5-10H,3-4,11H2,1-2H3