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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H12BrNO3S2 MolecularWeight: 410.30538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO3S2/c17-14-6-5-13(22-14)11(19)9-21-16(20)8-7-15-18-10-3-1-2-4-12(10)23-15/h1-6H,7-9H2