(4-bromophenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (4-bromophenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: (4-bromophenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid (4-bromophenyl) ester Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H12BrNO3S/c17-11-5-7-12(8-6-11)21-15(19)9-10-18-13-3-1-2-4-14(13)22-16(18)20/h1-8H,9-10H2