[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H14BrNO3S2 MolecularWeight: 424.33196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H14BrNO3S2/c18-15-9-8-14(23-15)12(20)10-22-17(21)7-3-6-16-19-11-4-1-2-5-13(11)24-16/h1-2,4-5,8-9H,3,6-7,10H2