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

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C20H18BrNO3S MolecularWeight: 432.33082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO3S/c21-15-9-7-14(8-10-15)17(23)5-3-13-25-20(24)12-11-19-22-16-4-1-2-6-18(16)26-19/h1-2,4,6-10H,3,5,11-13H2