2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C16H12BrNO5S MolecularWeight: 410.23918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br

InChI

InChI=1S/C16H12BrNO5S/c1-23-14-7-6-10(8-12(14)17)13(19)9-18-16(20)11-4-2-3-5-15(11)24(18,21)22/h2-8H,9H2,1H3