1,3-benzothiazol-2-ylmethyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H14BrNO3S MolecularWeight: 404.27766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO3S/c19-13-7-5-12(6-8-13)15(21)9-10-18(22)23-11-17-20-14-3-1-2-4-16(14)24-17/h1-8H,9-11H2